7-[[3-(difluoromethyl)-4-[(2S,4R,5S)-5-[(2R,4R,5S)-5-[(2R,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]dec-9-yn-5-one;N-[3-(difluoromethyl)-4-[(2S,4R,5S)-5-[(2R,4R,5S)-5-[(2R,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-4-oxo-2-prop-2-ynyloctanamide;(3S,4S,6S)-6-[2-(difluoromethyl)-4-(hex-5-ynoylamino)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;N-[4-[(2S,4R,5S)-5-[(2R,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-(fluoromethyl)phenyl]hex-5-ynamide;2-propoxyethyl 3-[[3-(difluoromethyl)-4-[(2S,4R,5S)-5-[(2R,4R,5S)-5-[(2R,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]carbamoyl]hex-5-ynoate;2-propoxyethyl 3-[[3-(difluoromethyl)-4-[(2S,4R,5S)-5-[(2R,4R,5S)-5-[(2R,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]hex-5-ynoate;2-propoxyethyl 3-[[3-(difluoromethyl)-4-[(2S,4R,5S)-5-[(2R,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]hex-5-ynoate

C257H369F13N4O138 — CID 162211475

IUPAC7-[[3-(difluoromethyl)-4-[(2S,4R,5S)-5-[(2R,4R,5S)-5-[(2R,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]dec-9-yn-5-one;N-[3-(difluoromethyl)-4-[(2S,4R,5S)-5-[(2R,4R,5S)-5-[(2R,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-4-oxo-2-prop-2-ynyloctanamide;(3S,4S,6S)-6-[2-(difluoromethyl)-4-(hex-5-ynoylamino)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;N-[4-[(2S,4R,5S)-5-[(2R,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-(fluoromethyl)phenyl]hex-5-ynamide;2-propoxyethyl 3-[[3-(difluoromethyl)-4-[(2S,4R,5S)-5-[(2R,4R,5S)-5-[(2R,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]carbamoyl]hex-5-ynoate;2-propoxyethyl 3-[[3-(difluoromethyl)-4-[(2S,4R,5S)-5-[(2R,4R,5S)-5-[(2R,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]hex-5-ynoate;2-propoxyethyl 3-[[3-(difluoromethyl)-4-[(2S,4R,5S)-5-[(2R,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]hex-5-ynoate
SMILESC#CCC(CC(=O)CCCC)C(=O)Nc1ccc(O[C@@H]2OC(CO)[C@@H](O[C@H]3OC(CO)[C@@H](O[C@H]4OC(CO)[C@@H](O[C@H]5OC(CO)[C@@H](O)[C@H](O)C5O)[C@H](O)C4O)[C@H](O)C3O)C(O)C2O)c(C(F)F)c1.C#CCC(CC(=O)CCCC)Cc1ccc(O[C@@H]2OC(CO)[C@@H](O[C@H]3OC(CO)[C@@H](O[C@H]4OC(CO)[C@@H](O[C@H]5OC(CO)[C@@H](O)[C@H](O)C5O)[C@H](O)C4O)[C@H](O)C3O)C(O)C2O)c(C(F)F)c1.C#CCC(CC(=O)OCCOCCC)C(=O)Nc1ccc(O[C@@H]2OC(CO)[C@@H](O[C@H]3OC(CO)[C@@H](O[C@H]4OC(CO)[C@@H](O[C@H]5OC(CO)[C@@H](O)[C@H](O)C5O)C(O)C4O)[C@H](O)C3O)[C@H](O)C2O)c(C(F)F)c1.C#CCC(CC(=O)OCCOCCC)Cc1ccc(O[C@@H]2OC(CO)[C@@H](O[C@H]3OC(CO)[C@@H](O[C@H]4OC(CO)[C@@H](O)[C@H](O)C4O)[C@H](O)C3O)C(O)C2O)c(C(F)F)c1.C#CCC(CC(=O)OCCOCCC)Cc1ccc(O[C@@H]2OC(CO)[C@@H](O[C@H]3OC(CO)[C@@H](O[C@H]4OC(CO)[C@@H](O[C@H]5OC(CO)[C@@H](O)[C@H](O)C5O)[C@H](O)C4O)[C@H](O)C3O)C(O)C2O)c(C(F)F)c1.C#CCCCC(=O)Nc1ccc(O[C@@H]2OC(C(=O)O)[C@@H](O)[C@H](O)C2O)c(C(F)F)c1.C#CCCCC(=O)Nc1ccc(O[C@@H]2OC(CO)[C@@H](O[C@H]3OC(CO)[C@@H](O[C@H]4OC(CO)[C@@H](O)[C@H](O)C4O)[C@H](O)C3O)C(O)C2O)c(CF)c1
InChIInChI=1S/C43H63F2NO25.C43H64F2O24.C42H61F2NO23.C42H62F2O22.C37H54F2O19.C31H44FNO17.C19H21F2NO8/c1-3-5-17(11-25(51)63-10-9-62-8-4-2)39(61)46-18-6-7-20(19(12-18)38(44)45)64-40-32(58)28(54)35(22(14-48)66-40)70-42-34(60)30(56)37(24(16-50)68-42)71-43-33(59)29(55)36(23(15-49)67-43)69-41-31(57)27(53)26(52)21(13-47)65-41;1-3-5-18(13-26(50)61-10-9-60-8-4-2)11-19-6-7-21(20(12-19)39(44)45)62-40-33(57)29(53)36(23(15-47)64-40)68-42-35(59)31(55)38(25(17-49)66-42)69-43-34(58)30(54)37(24(16-48)65-43)67-41-32(56)28(52)27(51)22(14-46)63-41;1-3-5-7-18(50)10-16(6-4-2)38(60)45-17-8-9-20(19(11-17)37(43)44)61-39-31(57)27(53)34(22(13-47)63-39)67-41-33(59)29(55)36(24(15-49)65-41)68-42-32(58)28(54)35(23(14-48)64-42)66-40-30(56)26(52)25(51)21(12-46)62-40;1-3-5-7-19(49)11-17(6-4-2)10-18-8-9-21(20(12-18)38(43)44)59-39-32(56)28(52)35(23(14-46)61-39)65-41-34(58)30(54)37(25(16-48)63-41)66-42-33(57)29(53)36(24(15-47)62-42)64-40-31(55)27(51)26(50)22(13-45)60-40;1-3-5-17(13-24(43)52-10-9-51-8-4-2)11-18-6-7-20(19(12-18)34(38)39)53-35-30(49)27(46)32(22(15-41)55-35)58-37-31(50)28(47)33(23(16-42)56-37)57-36-29(48)26(45)25(44)21(14-40)54-36;1-2-3-4-5-19(37)33-14-6-7-15(13(8-14)9-32)45-29-25(43)22(40)27(17(11-35)47-29)50-31-26(44)23(41)28(18(12-36)48-31)49-30-24(42)21(39)20(38)16(10-34)46-30;1-2-3-4-5-12(23)22-9-6-7-11(10(8-9)17(20)21)29-19-15(26)13(24)14(25)16(30-19)18(27)28/h1,6-7,12,17,21-24,26-38,40-43,47-50,52-60H,4-5,8-11,13-16H2,2H3,(H,46,61);1,6-7,12,18,22-25,27-43,46-49,51-59H,4-5,8-11,13-17H2,2H3;2,8-9,11,16,21-37,39-42,46-49,51-59H,3,5-7,10,12-15H2,1H3,(H,45,60);2,8-9,12,17,22-42,45-48,50-58H,3,5-7,10-11,13-16H2,1H3;1,6-7,12,17,21-23,25-37,40-42,44-50H,4-5,8-11,13-16H2,2H3;1,6-8,16-18,20-31,34-36,38-44H,3-5,9-12H2,(H,33,37);1,6-8,13-17,19,24-26H,3-5H2,(H,22,23)(H,27,28)/t17?,21?,22?,23?,24?,26-,27+,28-,29?,30-,31?,32?,33?,34?,35-,36-,37-,40-,41-,42-,43-;18?,22?,23?,24?,25?,27-,28+,29?,30-,31-,32?,33?,34?,35?,36-,37-,38-,40-,41-,42-,43-;16?,21?,22?,23?,24?,25-,26+,27?,28-,29-,30?,31?,32?,33?,34-,35-,36-,39-,40-,41-,42-;17?,22?,23?,24?,25?,26-,27+,28?,29-,30-,31?,32?,33?,34?,35-,36-,37-,39-,40-,41-,42-;17?,21?,22?,23?,25-,26+,27?,28-,29?,30?,31?,32-,33-,35-,36-,37-;16?,17?,18?,20-,21+,22?,23-,24?,25?,26?,27-,28-,29-,30-,31-;13-,14-,15?,16?,19+/m1111110/s1
InChIKeyZSXALTIRTGFRHB-VQGOOBDJSA-N
MW5969.64 g/mol
LogP-27.00
Rot. Bonds130

About 7-[[3-(difluoromethyl)-4-[(2S,4R,5S)-5-[(2R,4R,5S)-5-[(2R,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]dec-9-yn-5-one;N-[3-(difluoromethyl)-4-[(2S,4R,5S)-5-[(2R,4R,5S)-5-[(2R,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-4-oxo-2-prop-2-ynyloctanamide;(3S,4S,6S)-6-[2-(difluoromethyl)-4-(hex-5-ynoylamino)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;N-[4-[(2S,4R,5S)-5-[(2R,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-(fluoromethyl)phenyl]hex-5-ynamide;2-propoxyethyl 3-[[3-(difluoromethyl)-4-[(2S,4R,5S)-5-[(2R,4R,5S)-5-[(2R,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]carbamoyl]hex-5-ynoate;2-propoxyethyl 3-[[3-(difluoromethyl)-4-[(2S,4R,5S)-5-[(2R,4R,5S)-5-[(2R,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]hex-5-ynoate;2-propoxyethyl 3-[[3-(difluoromethyl)-4-[(2S,4R,5S)-5-[(2R,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]hex-5-ynoate

7-[[3-(difluoromethyl)-4-[(2S,4R,5S)-5-[(2R,4R,5S)-5-[(2R,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]dec-9-yn-5-one;N-[3-(difluoromethyl)-4-[(2S,4R,5S)-5-[(2R,4R,5S)-5-[(2R,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-4-oxo-2-prop-2-ynyloctanamide;(3S,4S,6S)-6-[2-(difluoromethyl)-4-(hex-5-ynoylamino)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;N-[4-[(2S,4R,5S)-5-[(2R,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-(fluoromethyl)phenyl]hex-5-ynamide;2-propoxyethyl 3-[[3-(difluoromethyl)-4-[(2S,4R,5S)-5-[(2R,4R,5S)-5-[(2R,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]carbamoyl]hex-5-ynoate;2-propoxyethyl 3-[[3-(difluoromethyl)-4-[(2S,4R,5S)-5-[(2R,4R,5S)-5-[(2R,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]hex-5-ynoate;2-propoxyethyl 3-[[3-(difluoromethyl)-4-[(2S,4R,5S)-5-[(2R,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]hex-5-ynoate (PubChem CID 162211475) has the molecular formula C257H369F13N4O138 and a molecular weight of 5969.64 g/mol. Its IUPAC name is 7-[[3-(difluoromethyl)-4-[(2S,4R,5S)-5-[(2R,4R,5S)-5-[(2R,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]dec-9-yn-5-one;N-[3-(difluoromethyl)-4-[(2S,4R,5S)-5-[(2R,4R,5S)-5-[(2R,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-4-oxo-2-prop-2-ynyloctanamide;(3S,4S,6S)-6-[2-(difluoromethyl)-4-(hex-5-ynoylamino)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;N-[4-[(2S,4R,5S)-5-[(2R,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-(fluoromethyl)phenyl]hex-5-ynamide;2-propoxyethyl 3-[[3-(difluoromethyl)-4-[(2S,4R,5S)-5-[(2R,4R,5S)-5-[(2R,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]carbamoyl]hex-5-ynoate;2-propoxyethyl 3-[[3-(difluoromethyl)-4-[(2S,4R,5S)-5-[(2R,4R,5S)-5-[(2R,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]hex-5-ynoate;2-propoxyethyl 3-[[3-(difluoromethyl)-4-[(2S,4R,5S)-5-[(2R,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]hex-5-ynoate.

Molecular Properties

Compound Name7-[[3-(difluoromethyl)-4-[(2S,4R,5S)-5-[(2R,4R,5S)-5-[(2R,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]dec-9-yn-5-one;N-[3-(difluoromethyl)-4-[(2S,4R,5S)-5-[(2R,4R,5S)-5-[(2R,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-4-oxo-2-prop-2-ynyloctanamide;(3S,4S,6S)-6-[2-(difluoromethyl)-4-(hex-5-ynoylamino)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;N-[4-[(2S,4R,5S)-5-[(2R,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-(fluoromethyl)phenyl]hex-5-ynamide;2-propoxyethyl 3-[[3-(difluoromethyl)-4-[(2S,4R,5S)-5-[(2R,4R,5S)-5-[(2R,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]carbamoyl]hex-5-ynoate;2-propoxyethyl 3-[[3-(difluoromethyl)-4-[(2S,4R,5S)-5-[(2R,4R,5S)-5-[(2R,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]hex-5-ynoate;2-propoxyethyl 3-[[3-(difluoromethyl)-4-[(2S,4R,5S)-5-[(2R,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]hex-5-ynoate
PubChem CID162211475
Molecular FormulaC257H369F13N4O138
Molecular Weight5969.64 g/mol
Exact Mass5966.18
IUPAC Name7-[[3-(difluoromethyl)-4-[(2S,4R,5S)-5-[(2R,4R,5S)-5-[(2R,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]dec-9-yn-5-one;N-[3-(difluoromethyl)-4-[(2S,4R,5S)-5-[(2R,4R,5S)-5-[(2R,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-4-oxo-2-prop-2-ynyloctanamide;(3S,4S,6S)-6-[2-(difluoromethyl)-4-(hex-5-ynoylamino)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;N-[4-[(2S,4R,5S)-5-[(2R,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-(fluoromethyl)phenyl]hex-5-ynamide;2-propoxyethyl 3-[[3-(difluoromethyl)-4-[(2S,4R,5S)-5-[(2R,4R,5S)-5-[(2R,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]carbamoyl]hex-5-ynoate;2-propoxyethyl 3-[[3-(difluoromethyl)-4-[(2S,4R,5S)-5-[(2R,4R,5S)-5-[(2R,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]hex-5-ynoate;2-propoxyethyl 3-[[3-(difluoromethyl)-4-[(2S,4R,5S)-5-[(2R,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]hex-5-ynoate
SMILESC#CCC(CC(=O)CCCC)C(=O)Nc1ccc(O[C@@H]2OC(CO)[C@@H](O[C@H]3OC(CO)[C@@H](O[C@H]4OC(CO)[C@@H](O[C@H]5OC(CO)[C@@H](O)[C@H](O)C5O)[C@H](O)C4O)[C@H](O)C3O)C(O)C2O)c(C(F)F)c1.C#CCC(CC(=O)CCCC)Cc1ccc(O[C@@H]2OC(CO)[C@@H](O[C@H]3OC(CO)[C@@H](O[C@H]4OC(CO)[C@@H](O[C@H]5OC(CO)[C@@H](O)[C@H](O)C5O)[C@H](O)C4O)[C@H](O)C3O)C(O)C2O)c(C(F)F)c1.C#CCC(CC(=O)OCCOCCC)C(=O)Nc1ccc(O[C@@H]2OC(CO)[C@@H](O[C@H]3OC(CO)[C@@H](O[C@H]4OC(CO)[C@@H](O[C@H]5OC(CO)[C@@H](O)[C@H](O)C5O)C(O)C4O)[C@H](O)C3O)[C@H](O)C2O)c(C(F)F)c1.C#CCC(CC(=O)OCCOCCC)Cc1ccc(O[C@@H]2OC(CO)[C@@H](O[C@H]3OC(CO)[C@@H](O[C@H]4OC(CO)[C@@H](O)[C@H](O)C4O)[C@H](O)C3O)C(O)C2O)c(C(F)F)c1.C#CCC(CC(=O)OCCOCCC)Cc1ccc(O[C@@H]2OC(CO)[C@@H](O[C@H]3OC(CO)[C@@H](O[C@H]4OC(CO)[C@@H](O[C@H]5OC(CO)[C@@H](O)[C@H](O)C5O)[C@H](O)C4O)[C@H](O)C3O)C(O)C2O)c(C(F)F)c1.C#CCCCC(=O)Nc1ccc(O[C@@H]2OC(C(=O)O)[C@@H](O)[C@H](O)C2O)c(C(F)F)c1.C#CCCCC(=O)Nc1ccc(O[C@@H]2OC(CO)[C@@H](O[C@H]3OC(CO)[C@@H](O[C@H]4OC(CO)[C@@H](O)[C@H](O)C4O)[C@H](O)C3O)C(O)C2O)c(CF)c1
InChIInChI=1S/C43H63F2NO25.C43H64F2O24.C42H61F2NO23.C42H62F2O22.C37H54F2O19.C31H44FNO17.C19H21F2NO8/c1-3-5-17(11-25(51)63-10-9-62-8-4-2)39(61)46-18-6-7-20(19(12-18)38(44)45)64-40-32(58)28(54)35(22(14-48)66-40)70-42-34(60)30(56)37(24(16-50)68-42)71-43-33(59)29(55)36(23(15-49)67-43)69-41-31(57)27(53)26(52)21(13-47)65-41;1-3-5-18(13-26(50)61-10-9-60-8-4-2)11-19-6-7-21(20(12-19)39(44)45)62-40-33(57)29(53)36(23(15-47)64-40)68-42-35(59)31(55)38(25(17-49)66-42)69-43-34(58)30(54)37(24(16-48)65-43)67-41-32(56)28(52)27(51)22(14-46)63-41;1-3-5-7-18(50)10-16(6-4-2)38(60)45-17-8-9-20(19(11-17)37(43)44)61-39-31(57)27(53)34(22(13-47)63-39)67-41-33(59)29(55)36(24(15-49)65-41)68-42-32(58)28(54)35(23(14-48)64-42)66-40-30(56)26(52)25(51)21(12-46)62-40;1-3-5-7-19(49)11-17(6-4-2)10-18-8-9-21(20(12-18)38(43)44)59-39-32(56)28(52)35(23(14-46)61-39)65-41-34(58)30(54)37(25(16-48)63-41)66-42-33(57)29(53)36(24(15-47)62-42)64-40-31(55)27(51)26(50)22(13-45)60-40;1-3-5-17(13-24(43)52-10-9-51-8-4-2)11-18-6-7-20(19(12-18)34(38)39)53-35-30(49)27(46)32(22(15-41)55-35)58-37-31(50)28(47)33(23(16-42)56-37)57-36-29(48)26(45)25(44)21(14-40)54-36;1-2-3-4-5-19(37)33-14-6-7-15(13(8-14)9-32)45-29-25(43)22(40)27(17(11-35)47-29)50-31-26(44)23(41)28(18(12-36)48-31)49-30-24(42)21(39)20(38)16(10-34)46-30;1-2-3-4-5-12(23)22-9-6-7-11(10(8-9)17(20)21)29-19-15(26)13(24)14(25)16(30-19)18(27)28/h1,6-7,12,17,21-24,26-38,40-43,47-50,52-60H,4-5,8-11,13-16H2,2H3,(H,46,61);1,6-7,12,18,22-25,27-43,46-49,51-59H,4-5,8-11,13-17H2,2H3;2,8-9,11,16,21-37,39-42,46-49,51-59H,3,5-7,10,12-15H2,1H3,(H,45,60);2,8-9,12,17,22-42,45-48,50-58H,3,5-7,10-11,13-16H2,1H3;1,6-7,12,17,21-23,25-37,40-42,44-50H,4-5,8-11,13-16H2,2H3;1,6-8,16-18,20-31,34-36,38-44H,3-5,9-12H2,(H,33,37);1,6-8,13-17,19,24-26H,3-5H2,(H,22,23)(H,27,28)/t17?,21?,22?,23?,24?,26-,27+,28-,29?,30-,31?,32?,33?,34?,35-,36-,37-,40-,41-,42-,43-;18?,22?,23?,24?,25?,27-,28+,29?,30-,31-,32?,33?,34?,35?,36-,37-,38-,40-,41-,42-,43-;16?,21?,22?,23?,24?,25-,26+,27?,28-,29-,30?,31?,32?,33?,34-,35-,36-,39-,40-,41-,42-;17?,22?,23?,24?,25?,26-,27+,28?,29-,30-,31?,32?,33?,34?,35-,36-,37-,39-,40-,41-,42-;17?,21?,22?,23?,25-,26+,27?,28-,29?,30?,31?,32-,33-,35-,36-,37-;16?,17?,18?,20-,21+,22?,23-,24?,25?,26?,27-,28-,29-,30-,31-;13-,14-,15?,16?,19+/m1111110/s1
InChIKeyZSXALTIRTGFRHB-VQGOOBDJSA-N
XLogP-27.00
TPSA2236.26 Ų
H-Bond Donors80
H-Bond Acceptors137
Rotatable Bonds130
Heavy Atoms412
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005969.64
LogP ≤ 5-27.00
H-Bond Donors ≤ 580
H-Bond Acceptors ≤ 10137

Analyze 7-[[3-(difluoromethyl)-4-[(2S,4R,5S)-5-[(2R,4R,5S)-5-[(2R,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]dec-9-yn-5-one;N-[3-(difluoromethyl)-4-[(2S,4R,5S)-5-[(2R,4R,5S)-5-[(2R,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-4-oxo-2-prop-2-ynyloctanamide;(3S,4S,6S)-6-[2-(difluoromethyl)-4-(hex-5-ynoylamino)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;N-[4-[(2S,4R,5S)-5-[(2R,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-(fluoromethyl)phenyl]hex-5-ynamide;2-propoxyethyl 3-[[3-(difluoromethyl)-4-[(2S,4R,5S)-5-[(2R,4R,5S)-5-[(2R,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]carbamoyl]hex-5-ynoate;2-propoxyethyl 3-[[3-(difluoromethyl)-4-[(2S,4R,5S)-5-[(2R,4R,5S)-5-[(2R,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]hex-5-ynoate;2-propoxyethyl 3-[[3-(difluoromethyl)-4-[(2S,4R,5S)-5-[(2R,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]hex-5-ynoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-[[4-[(2S,4R,5R)-5-[(2R,4R,5R)-5-[(2R,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-(fluoromethyl)phenyl]methyl]dec-9-yn-5-one
CID 159454538
6-[4-(3-aminopropanoylamino)-2-(fluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
CID 142554219
6-[4-(4-azidobutanoylamino)-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;(2R,3R,4R,5S,6R)-6-[4-[2-(6-azidohexanoylamino)pent-4-ynoylamino]-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;6-[4-[2-(6-azidohexanoylamino)pent-4-ynoylamino]-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;(2R,3R,4R,5S,6R)-6-[4-[2-[[2-[2-[2-(azidomethoxy)ethoxy]ethoxy]acetyl]amino]hex-5-ynoylamino]-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;6-[4-[2-[[2-[2-[2-(azidomethoxy)ethoxy]ethoxy]acetyl]amino]hex-5-ynoylamino]-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;(2R,3R,4R,5S,6R)-6-[4-[[3-azido-2-(oct-7-ynoylamino)propanoyl]amino]-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;6-[4-[[3-azido-2-(oct-7-ynoylamino)propanoyl]amino]-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;(2R,3R,4R,5S,6R)-6-[4-[[4-azido-2-[[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]acetyl]amino]butanoyl]amino]-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;6-[4-[[4-azido-2-[[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]acetyl]amino]butanoyl]amino]-2-(difluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;6-[2-(difluoromethyl)-4-(hex-5-ynoylamino)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
CID 167680783
N-[[4-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-methoxyphenyl]methyl]nonanamide
CID 102380110
N-[4-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]dodecanamide
CID 21079998
butyl 2-[5-hydroxy-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]acetate
CID 162855179
(2S,3S,4S,5R,6R)-6-[(2R,3R,4R,5R,6R)-3-(butanoylamino)-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
CID 101412988
N-tert-butyl-4-(2,2-dimethylpropyl)aniline;N-tert-butyl-4-[(2-methylpropan-2-yl)oxymethyl]aniline;1-(2,2-dimethylpropyl)-4-[(2-methylpropan-2-yl)oxymethyl]benzene;2-[2-(2,2-dimethylpropyl)-4-[(2-methylpropan-2-yl)oxymethyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol;6-[2-(2,2-dimethylpropyl)-4-[(2-methylpropan-2-yl)oxymethyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
CID 160620667
N-[4-[(2R,3S,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyphenyl]acetamide
CID 56646361
1-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]heptan-2-one
CID 45378596
(Z)-N-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]octadec-13-enamide
CID 101464827
(2S,3R,4S,5R,6R)-2-[(2R,3R,4R,5R,6S)-6-[(2R,3S,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-(4-octylphenoxy)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 86749339

Frequently Asked Questions

What is the IUPAC name of 7-[[3-(difluoromethyl)-4-[(2S,4R,5S)-5-[(2R,4R,5S)-5-[(2R,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]dec-9-yn-5-one;N-[3-(difluoromethyl)-4-[(2S,4R,5S)-5-[(2R,4R,5S)-5-[(2R,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-4-oxo-2-prop-2-ynyloctanamide;(3S,4S,6S)-6-[2-(difluoromethyl)-4-(hex-5-ynoylamino)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;N-[4-[(2S,4R,5S)-5-[(2R,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-(fluoromethyl)phenyl]hex-5-ynamide;2-propoxyethyl 3-[[3-(difluoromethyl)-4-[(2S,4R,5S)-5-[(2R,4R,5S)-5-[(2R,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]carbamoyl]hex-5-ynoate;2-propoxyethyl 3-[[3-(difluoromethyl)-4-[(2S,4R,5S)-5-[(2R,4R,5S)-5-[(2R,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]hex-5-ynoate;2-propoxyethyl 3-[[3-(difluoromethyl)-4-[(2S,4R,5S)-5-[(2R,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]hex-5-ynoate?
The IUPAC name of 7-[[3-(difluoromethyl)-4-[(2S,4R,5S)-5-[(2R,4R,5S)-5-[(2R,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]dec-9-yn-5-one;N-[3-(difluoromethyl)-4-[(2S,4R,5S)-5-[(2R,4R,5S)-5-[(2R,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-4-oxo-2-prop-2-ynyloctanamide;(3S,4S,6S)-6-[2-(difluoromethyl)-4-(hex-5-ynoylamino)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;N-[4-[(2S,4R,5S)-5-[(2R,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-(fluoromethyl)phenyl]hex-5-ynamide;2-propoxyethyl 3-[[3-(difluoromethyl)-4-[(2S,4R,5S)-5-[(2R,4R,5S)-5-[(2R,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]carbamoyl]hex-5-ynoate;2-propoxyethyl 3-[[3-(difluoromethyl)-4-[(2S,4R,5S)-5-[(2R,4R,5S)-5-[(2R,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]hex-5-ynoate;2-propoxyethyl 3-[[3-(difluoromethyl)-4-[(2S,4R,5S)-5-[(2R,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]hex-5-ynoate (CID 162211475) is 7-[[3-(difluoromethyl)-4-[(2S,4R,5S)-5-[(2R,4R,5S)-5-[(2R,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]dec-9-yn-5-one;N-[3-(difluoromethyl)-4-[(2S,4R,5S)-5-[(2R,4R,5S)-5-[(2R,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-4-oxo-2-prop-2-ynyloctanamide;(3S,4S,6S)-6-[2-(difluoromethyl)-4-(hex-5-ynoylamino)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;N-[4-[(2S,4R,5S)-5-[(2R,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-(fluoromethyl)phenyl]hex-5-ynamide;2-propoxyethyl 3-[[3-(difluoromethyl)-4-[(2S,4R,5S)-5-[(2R,4R,5S)-5-[(2R,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]carbamoyl]hex-5-ynoate;2-propoxyethyl 3-[[3-(difluoromethyl)-4-[(2S,4R,5S)-5-[(2R,4R,5S)-5-[(2R,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]hex-5-ynoate;2-propoxyethyl 3-[[3-(difluoromethyl)-4-[(2S,4R,5S)-5-[(2R,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]hex-5-ynoate.
What is the SMILES notation for 7-[[3-(difluoromethyl)-4-[(2S,4R,5S)-5-[(2R,4R,5S)-5-[(2R,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]dec-9-yn-5-one;N-[3-(difluoromethyl)-4-[(2S,4R,5S)-5-[(2R,4R,5S)-5-[(2R,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-4-oxo-2-prop-2-ynyloctanamide;(3S,4S,6S)-6-[2-(difluoromethyl)-4-(hex-5-ynoylamino)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;N-[4-[(2S,4R,5S)-5-[(2R,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-(fluoromethyl)phenyl]hex-5-ynamide;2-propoxyethyl 3-[[3-(difluoromethyl)-4-[(2S,4R,5S)-5-[(2R,4R,5S)-5-[(2R,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]carbamoyl]hex-5-ynoate;2-propoxyethyl 3-[[3-(difluoromethyl)-4-[(2S,4R,5S)-5-[(2R,4R,5S)-5-[(2R,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]hex-5-ynoate;2-propoxyethyl 3-[[3-(difluoromethyl)-4-[(2S,4R,5S)-5-[(2R,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]hex-5-ynoate?
The canonical SMILES for 7-[[3-(difluoromethyl)-4-[(2S,4R,5S)-5-[(2R,4R,5S)-5-[(2R,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]dec-9-yn-5-one;N-[3-(difluoromethyl)-4-[(2S,4R,5S)-5-[(2R,4R,5S)-5-[(2R,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-4-oxo-2-prop-2-ynyloctanamide;(3S,4S,6S)-6-[2-(difluoromethyl)-4-(hex-5-ynoylamino)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;N-[4-[(2S,4R,5S)-5-[(2R,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-(fluoromethyl)phenyl]hex-5-ynamide;2-propoxyethyl 3-[[3-(difluoromethyl)-4-[(2S,4R,5S)-5-[(2R,4R,5S)-5-[(2R,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]carbamoyl]hex-5-ynoate;2-propoxyethyl 3-[[3-(difluoromethyl)-4-[(2S,4R,5S)-5-[(2R,4R,5S)-5-[(2R,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]hex-5-ynoate;2-propoxyethyl 3-[[3-(difluoromethyl)-4-[(2S,4R,5S)-5-[(2R,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]hex-5-ynoate is C#CCC(CC(=O)CCCC)C(=O)Nc1ccc(O[C@@H]2OC(CO)[C@@H](O[C@H]3OC(CO)[C@@H](O[C@H]4OC(CO)[C@@H](O[C@H]5OC(CO)[C@@H](O)[C@H](O)C5O)[C@H](O)C4O)[C@H](O)C3O)C(O)C2O)c(C(F)F)c1.C#CCC(CC(=O)CCCC)Cc1ccc(O[C@@H]2OC(CO)[C@@H](O[C@H]3OC(CO)[C@@H](O[C@H]4OC(CO)[C@@H](O[C@H]5OC(CO)[C@@H](O)[C@H](O)C5O)[C@H](O)C4O)[C@H](O)C3O)C(O)C2O)c(C(F)F)c1.C#CCC(CC(=O)OCCOCCC)C(=O)Nc1ccc(O[C@@H]2OC(CO)[C@@H](O[C@H]3OC(CO)[C@@H](O[C@H]4OC(CO)[C@@H](O[C@H]5OC(CO)[C@@H](O)[C@H](O)C5O)C(O)C4O)[C@H](O)C3O)[C@H](O)C2O)c(C(F)F)c1.C#CCC(CC(=O)OCCOCCC)Cc1ccc(O[C@@H]2OC(CO)[C@@H](O[C@H]3OC(CO)[C@@H](O[C@H]4OC(CO)[C@@H](O)[C@H](O)C4O)[C@H](O)C3O)C(O)C2O)c(C(F)F)c1.C#CCC(CC(=O)OCCOCCC)Cc1ccc(O[C@@H]2OC(CO)[C@@H](O[C@H]3OC(CO)[C@@H](O[C@H]4OC(CO)[C@@H](O[C@H]5OC(CO)[C@@H](O)[C@H](O)C5O)[C@H](O)C4O)[C@H](O)C3O)C(O)C2O)c(C(F)F)c1.C#CCCCC(=O)Nc1ccc(O[C@@H]2OC(C(=O)O)[C@@H](O)[C@H](O)C2O)c(C(F)F)c1.C#CCCCC(=O)Nc1ccc(O[C@@H]2OC(CO)[C@@H](O[C@H]3OC(CO)[C@@H](O[C@H]4OC(CO)[C@@H](O)[C@H](O)C4O)[C@H](O)C3O)C(O)C2O)c(CF)c1.
What is the InChIKey of 7-[[3-(difluoromethyl)-4-[(2S,4R,5S)-5-[(2R,4R,5S)-5-[(2R,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]dec-9-yn-5-one;N-[3-(difluoromethyl)-4-[(2S,4R,5S)-5-[(2R,4R,5S)-5-[(2R,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-4-oxo-2-prop-2-ynyloctanamide;(3S,4S,6S)-6-[2-(difluoromethyl)-4-(hex-5-ynoylamino)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;N-[4-[(2S,4R,5S)-5-[(2R,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-(fluoromethyl)phenyl]hex-5-ynamide;2-propoxyethyl 3-[[3-(difluoromethyl)-4-[(2S,4R,5S)-5-[(2R,4R,5S)-5-[(2R,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]carbamoyl]hex-5-ynoate;2-propoxyethyl 3-[[3-(difluoromethyl)-4-[(2S,4R,5S)-5-[(2R,4R,5S)-5-[(2R,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]hex-5-ynoate;2-propoxyethyl 3-[[3-(difluoromethyl)-4-[(2S,4R,5S)-5-[(2R,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]hex-5-ynoate?
The InChIKey is ZSXALTIRTGFRHB-VQGOOBDJSA-N. The full InChI is InChI=1S/C43H63F2NO25.C43H64F2O24.C42H61F2NO23.C42H62F2O22.C37H54F2O19.C31H44FNO17.C19H21F2NO8/c1-3-5-17(11-25(51)63-10-9-62-8-4-2)39(61)46-18-6-7-20(19(12-18)38(44)45)64-40-32(58)28(54)35(22(14-48)66-40)70-42-34(60)30(56)37(24(16-50)68-42)71-43-33(59)29(55)36(23(15-49)67-43)69-41-31(57)27(53)26(52)21(13-47)65-41;1-3-5-18(13-26(50)61-10-9-60-8-4-2)11-19-6-7-21(20(12-19)39(44)45)62-40-33(57)29(53)36(23(15-47)64-40)68-42-35(59)31(55)38(25(17-49)66-42)69-43-34(58)30(54)37(24(16-48)65-43)67-41-32(56)28(52)27(51)22(14-46)63-41;1-3-5-7-18(50)10-16(6-4-2)38(60)45-17-8-9-20(19(11-17)37(43)44)61-39-31(57)27(53)34(22(13-47)63-39)67-41-33(59)29(55)36(24(15-49)65-41)68-42-32(58)28(54)35(23(14-48)64-42)66-40-30(56)26(52)25(51)21(12-46)62-40;1-3-5-7-19(49)11-17(6-4-2)10-18-8-9-21(20(12-18)38(43)44)59-39-32(56)28(52)35(23(14-46)61-39)65-41-34(58)30(54)37(25(16-48)63-41)66-42-33(57)29(53)36(24(15-47)62-42)64-40-31(55)27(51)26(50)22(13-45)60-40;1-3-5-17(13-24(43)52-10-9-51-8-4-2)11-18-6-7-20(19(12-18)34(38)39)53-35-30(49)27(46)32(22(15-41)55-35)58-37-31(50)28(47)33(23(16-42)56-37)57-36-29(48)26(45)25(44)21(14-40)54-36;1-2-3-4-5-19(37)33-14-6-7-15(13(8-14)9-32)45-29-25(43)22(40)27(17(11-35)47-29)50-31-26(44)23(41)28(18(12-36)48-31)49-30-24(42)21(39)20(38)16(10-34)46-30;1-2-3-4-5-12(23)22-9-6-7-11(10(8-9)17(20)21)29-19-15(26)13(24)14(25)16(30-19)18(27)28/h1,6-7,12,17,21-24,26-38,40-43,47-50,52-60H,4-5,8-11,13-16H2,2H3,(H,46,61);1,6-7,12,18,22-25,27-43,46-49,51-59H,4-5,8-11,13-17H2,2H3;2,8-9,11,16,21-37,39-42,46-49,51-59H,3,5-7,10,12-15H2,1H3,(H,45,60);2,8-9,12,17,22-42,45-48,50-58H,3,5-7,10-11,13-16H2,1H3;1,6-7,12,17,21-23,25-37,40-42,44-50H,4-5,8-11,13-16H2,2H3;1,6-8,16-18,20-31,34-36,38-44H,3-5,9-12H2,(H,33,37);1,6-8,13-17,19,24-26H,3-5H2,(H,22,23)(H,27,28)/t17?,21?,22?,23?,24?,26-,27+,28-,29?,30-,31?,32?,33?,34?,35-,36-,37-,40-,41-,42-,43-;18?,22?,23?,24?,25?,27-,28+,29?,30-,31-,32?,33?,34?,35?,36-,37-,38-,40-,41-,42-,43-;16?,21?,22?,23?,24?,25-,26+,27?,28-,29-,30?,31?,32?,33?,34-,35-,36-,39-,40-,41-,42-;17?,22?,23?,24?,25?,26-,27+,28?,29-,30-,31?,32?,33?,34?,35-,36-,37-,39-,40-,41-,42-;17?,21?,22?,23?,25-,26+,27?,28-,29?,30?,31?,32-,33-,35-,36-,37-;16?,17?,18?,20-,21+,22?,23-,24?,25?,26?,27-,28-,29-,30-,31-;13-,14-,15?,16?,19+/m1111110/s1.
What are the key properties of 7-[[3-(difluoromethyl)-4-[(2S,4R,5S)-5-[(2R,4R,5S)-5-[(2R,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]dec-9-yn-5-one;N-[3-(difluoromethyl)-4-[(2S,4R,5S)-5-[(2R,4R,5S)-5-[(2R,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-4-oxo-2-prop-2-ynyloctanamide;(3S,4S,6S)-6-[2-(difluoromethyl)-4-(hex-5-ynoylamino)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;N-[4-[(2S,4R,5S)-5-[(2R,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-(fluoromethyl)phenyl]hex-5-ynamide;2-propoxyethyl 3-[[3-(difluoromethyl)-4-[(2S,4R,5S)-5-[(2R,4R,5S)-5-[(2R,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]carbamoyl]hex-5-ynoate;2-propoxyethyl 3-[[3-(difluoromethyl)-4-[(2S,4R,5S)-5-[(2R,4R,5S)-5-[(2R,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]hex-5-ynoate;2-propoxyethyl 3-[[3-(difluoromethyl)-4-[(2S,4R,5S)-5-[(2R,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]hex-5-ynoate?
7-[[3-(difluoromethyl)-4-[(2S,4R,5S)-5-[(2R,4R,5S)-5-[(2R,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]dec-9-yn-5-one;N-[3-(difluoromethyl)-4-[(2S,4R,5S)-5-[(2R,4R,5S)-5-[(2R,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-4-oxo-2-prop-2-ynyloctanamide;(3S,4S,6S)-6-[2-(difluoromethyl)-4-(hex-5-ynoylamino)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;N-[4-[(2S,4R,5S)-5-[(2R,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-(fluoromethyl)phenyl]hex-5-ynamide;2-propoxyethyl 3-[[3-(difluoromethyl)-4-[(2S,4R,5S)-5-[(2R,4R,5S)-5-[(2R,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]carbamoyl]hex-5-ynoate;2-propoxyethyl 3-[[3-(difluoromethyl)-4-[(2S,4R,5S)-5-[(2R,4R,5S)-5-[(2R,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]hex-5-ynoate;2-propoxyethyl 3-[[3-(difluoromethyl)-4-[(2S,4R,5S)-5-[(2R,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]hex-5-ynoate has a molecular weight of 5969.64 g/mol, XLogP of -27.00, 130 rotatable bonds, 80 hydrogen bond donors, and 137 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[3-(difluoromethyl)-4-[(2S,4R,5S)-5-[(2R,4R,5S)-5-[(2R,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]dec-9-yn-5-one;N-[3-(difluoromethyl)-4-[(2S,4R,5S)-5-[(2R,4R,5S)-5-[(2R,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-4-oxo-2-prop-2-ynyloctanamide;(3S,4S,6S)-6-[2-(difluoromethyl)-4-(hex-5-ynoylamino)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;N-[4-[(2S,4R,5S)-5-[(2R,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-(fluoromethyl)phenyl]hex-5-ynamide;2-propoxyethyl 3-[[3-(difluoromethyl)-4-[(2S,4R,5S)-5-[(2R,4R,5S)-5-[(2R,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]carbamoyl]hex-5-ynoate;2-propoxyethyl 3-[[3-(difluoromethyl)-4-[(2S,4R,5S)-5-[(2R,4R,5S)-5-[(2R,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]hex-5-ynoate;2-propoxyethyl 3-[[3-(difluoromethyl)-4-[(2S,4R,5S)-5-[(2R,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]hex-5-ynoate is sourced from PubChem (CID 162211475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).