[(2R,3S,4R,5R,6S)-3-acetyloxy-6-[2-amino-5-(hydroxymethyl)phenoxy]-4,5-dimethyloxan-2-yl]methyl acetate;[(2R,3S,4R,5R,6S)-3-acetyloxy-6-[2-[[(2S)-2-aminopropanoyl]amino]-5-(hydroxymethyl)phenoxy]-4,5-dimethyloxan-2-yl]methyl acetate;[(2R,3S,4R,5R,6R)-3-acetyloxy-6-bromo-4,5-dimethyloxan-2-yl]methyl acetate;[(2R,3S,4R,5R,6S)-3-acetyloxy-6-[2-[[(2R,5S)-5-(9H-fluoren-9-ylmethoxycarbonylamino)-2,6-dimethyl-4-oxoheptanoyl]amino]-5-(hydroxymethyl)phenoxy]-4,5-dimethyloxan-2-yl]methyl acetate;bis(4-nitrophenyl) carbonate;tert-butyl (3R)-4-[2-[(2S,3R,4R,5S,6R)-5-acetyloxy-6-(acetyloxymethyl)-3,4-dimethyloxan-2-yl]oxy-4-(hydroxymethyl)anilino]-3-methyl-4-oxobutanoate;(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoic acid;3-hydroxy-4-nitrobenzaldehyde;(2R)-2-methyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid

C173H221BrN10O60 — CID 167535475

IUPAC[(2R,3S,4R,5R,6S)-3-acetyloxy-6-[2-amino-5-(hydroxymethyl)phenoxy]-4,5-dimethyloxan-2-yl]methyl acetate;[(2R,3S,4R,5R,6S)-3-acetyloxy-6-[2-[[(2S)-2-aminopropanoyl]amino]-5-(hydroxymethyl)phenoxy]-4,5-dimethyloxan-2-yl]methyl acetate;[(2R,3S,4R,5R,6R)-3-acetyloxy-6-bromo-4,5-dimethyloxan-2-yl]methyl acetate;[(2R,3S,4R,5R,6S)-3-acetyloxy-6-[2-[[(2R,5S)-5-(9H-fluoren-9-ylmethoxycarbonylamino)-2,6-dimethyl-4-oxoheptanoyl]amino]-5-(hydroxymethyl)phenoxy]-4,5-dimethyloxan-2-yl]methyl acetate;bis(4-nitrophenyl) carbonate;tert-butyl (3R)-4-[2-[(2S,3R,4R,5S,6R)-5-acetyloxy-6-(acetyloxymethyl)-3,4-dimethyloxan-2-yl]oxy-4-(hydroxymethyl)anilino]-3-methyl-4-oxobutanoate;(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoic acid;3-hydroxy-4-nitrobenzaldehyde;(2R)-2-methyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
SMILESCC(=O)OC[C@H]1O[C@@H](Oc2cc(CO)ccc2N)[C@H](C)[C@@H](C)[C@@H]1OC(C)=O.CC(=O)OC[C@H]1O[C@@H](Oc2cc(CO)ccc2NC(=O)[C@H](C)CC(=O)OC(C)(C)C)[C@H](C)[C@@H](C)[C@@H]1OC(C)=O.CC(=O)OC[C@H]1O[C@@H](Oc2cc(CO)ccc2NC(=O)[C@H](C)CC(=O)[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(C)C)[C@H](C)[C@@H](C)[C@@H]1OC(C)=O.CC(=O)OC[C@H]1O[C@@H](Oc2cc(CO)ccc2NC(=O)[C@H](C)N)[C@H](C)[C@@H](C)[C@@H]1OC(C)=O.CC(=O)OC[C@H]1O[C@H](Br)[C@H](C)[C@@H](C)[C@@H]1OC(C)=O.CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O.C[C@H](CC(=O)OC(C)(C)C)C(=O)O.O=C(Oc1ccc([N+](=O)[O-])cc1)Oc1ccc([N+](=O)[O-])cc1.O=Cc1ccc([N+](=O)[O-])c(O)c1
InChIInChI=1S/C43H52N2O11.C28H41NO10.C22H32N2O8.C20H21NO4.C19H27NO7.C13H8N2O7.C12H19BrO5.C9H16O4.C7H5NO4/c1-23(2)39(45-43(51)53-21-34-32-14-10-8-12-30(32)31-13-9-11-15-33(31)34)36(49)18-24(3)41(50)44-35-17-16-29(20-46)19-37(35)55-42-26(5)25(4)40(54-28(7)48)38(56-42)22-52-27(6)47;1-15(11-24(33)39-28(6,7)8)26(34)29-21-10-9-20(13-30)12-22(21)37-27-17(3)16(2)25(36-19(5)32)23(38-27)14-35-18(4)31;1-11-12(2)22(32-19(10-29-14(4)26)20(11)30-15(5)27)31-18-8-16(9-25)6-7-17(18)24-21(28)13(3)23;1-12(2)18(19(22)23)21-20(24)25-11-17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17;1-10-11(2)19(26-16-7-14(8-21)5-6-15(16)20)27-17(9-24-12(3)22)18(10)25-13(4)23;16-13(21-11-5-1-9(2-6-11)14(17)18)22-12-7-3-10(4-8-12)15(19)20;1-6-7(2)12(13)18-10(5-16-8(3)14)11(6)17-9(4)15;1-6(8(11)12)5-7(10)13-9(2,3)4;9-4-5-1-2-6(8(11)12)7(10)3-5/h8-17,19,23-26,34,38-40,42,46H,18,20-22H2,1-7H3,(H,44,50)(H,45,51);9-10,12,15-17,23,25,27,30H,11,13-14H2,1-8H3,(H,29,34);6-8,11-13,19-20,22,25H,9-10,23H2,1-5H3,(H,24,28);3-10,12,17-18H,11H2,1-2H3,(H,21,24)(H,22,23);5-7,10-11,17-19,21H,8-9,20H2,1-4H3;1-8H;6-7,10-12H,5H2,1-4H3;6H,5H2,1-4H3,(H,11,12);1-4,10H/t24-,25-,26-,38-,39+,40+,42-;15-,16-,17-,23-,25+,27-;11-,12-,13+,19-,20+,22-;18-;10-,11-,17-,18+,19-;;6-,7-,10-,11+,12+;6-;/m11101.11./s1
InChIKeyAMUULKRJHDEGLR-WTRNOOFYSA-N
MW3480.58 g/mol
LogP23.61
Rot. Bonds56

About [(2R,3S,4R,5R,6S)-3-acetyloxy-6-[2-amino-5-(hydroxymethyl)phenoxy]-4,5-dimethyloxan-2-yl]methyl acetate;[(2R,3S,4R,5R,6S)-3-acetyloxy-6-[2-[[(2S)-2-aminopropanoyl]amino]-5-(hydroxymethyl)phenoxy]-4,5-dimethyloxan-2-yl]methyl acetate;[(2R,3S,4R,5R,6R)-3-acetyloxy-6-bromo-4,5-dimethyloxan-2-yl]methyl acetate;[(2R,3S,4R,5R,6S)-3-acetyloxy-6-[2-[[(2R,5S)-5-(9H-fluoren-9-ylmethoxycarbonylamino)-2,6-dimethyl-4-oxoheptanoyl]amino]-5-(hydroxymethyl)phenoxy]-4,5-dimethyloxan-2-yl]methyl acetate;bis(4-nitrophenyl) carbonate;tert-butyl (3R)-4-[2-[(2S,3R,4R,5S,6R)-5-acetyloxy-6-(acetyloxymethyl)-3,4-dimethyloxan-2-yl]oxy-4-(hydroxymethyl)anilino]-3-methyl-4-oxobutanoate;(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoic acid;3-hydroxy-4-nitrobenzaldehyde;(2R)-2-methyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid

[(2R,3S,4R,5R,6S)-3-acetyloxy-6-[2-amino-5-(hydroxymethyl)phenoxy]-4,5-dimethyloxan-2-yl]methyl acetate;[(2R,3S,4R,5R,6S)-3-acetyloxy-6-[2-[[(2S)-2-aminopropanoyl]amino]-5-(hydroxymethyl)phenoxy]-4,5-dimethyloxan-2-yl]methyl acetate;[(2R,3S,4R,5R,6R)-3-acetyloxy-6-bromo-4,5-dimethyloxan-2-yl]methyl acetate;[(2R,3S,4R,5R,6S)-3-acetyloxy-6-[2-[[(2R,5S)-5-(9H-fluoren-9-ylmethoxycarbonylamino)-2,6-dimethyl-4-oxoheptanoyl]amino]-5-(hydroxymethyl)phenoxy]-4,5-dimethyloxan-2-yl]methyl acetate;bis(4-nitrophenyl) carbonate;tert-butyl (3R)-4-[2-[(2S,3R,4R,5S,6R)-5-acetyloxy-6-(acetyloxymethyl)-3,4-dimethyloxan-2-yl]oxy-4-(hydroxymethyl)anilino]-3-methyl-4-oxobutanoate;(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoic acid;3-hydroxy-4-nitrobenzaldehyde;(2R)-2-methyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid (PubChem CID 167535475) has the molecular formula C173H221BrN10O60 and a molecular weight of 3480.58 g/mol. Its IUPAC name is [(2R,3S,4R,5R,6S)-3-acetyloxy-6-[2-amino-5-(hydroxymethyl)phenoxy]-4,5-dimethyloxan-2-yl]methyl acetate;[(2R,3S,4R,5R,6S)-3-acetyloxy-6-[2-[[(2S)-2-aminopropanoyl]amino]-5-(hydroxymethyl)phenoxy]-4,5-dimethyloxan-2-yl]methyl acetate;[(2R,3S,4R,5R,6R)-3-acetyloxy-6-bromo-4,5-dimethyloxan-2-yl]methyl acetate;[(2R,3S,4R,5R,6S)-3-acetyloxy-6-[2-[[(2R,5S)-5-(9H-fluoren-9-ylmethoxycarbonylamino)-2,6-dimethyl-4-oxoheptanoyl]amino]-5-(hydroxymethyl)phenoxy]-4,5-dimethyloxan-2-yl]methyl acetate;bis(4-nitrophenyl) carbonate;tert-butyl (3R)-4-[2-[(2S,3R,4R,5S,6R)-5-acetyloxy-6-(acetyloxymethyl)-3,4-dimethyloxan-2-yl]oxy-4-(hydroxymethyl)anilino]-3-methyl-4-oxobutanoate;(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoic acid;3-hydroxy-4-nitrobenzaldehyde;(2R)-2-methyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid.

Molecular Properties

Compound Name[(2R,3S,4R,5R,6S)-3-acetyloxy-6-[2-amino-5-(hydroxymethyl)phenoxy]-4,5-dimethyloxan-2-yl]methyl acetate;[(2R,3S,4R,5R,6S)-3-acetyloxy-6-[2-[[(2S)-2-aminopropanoyl]amino]-5-(hydroxymethyl)phenoxy]-4,5-dimethyloxan-2-yl]methyl acetate;[(2R,3S,4R,5R,6R)-3-acetyloxy-6-bromo-4,5-dimethyloxan-2-yl]methyl acetate;[(2R,3S,4R,5R,6S)-3-acetyloxy-6-[2-[[(2R,5S)-5-(9H-fluoren-9-ylmethoxycarbonylamino)-2,6-dimethyl-4-oxoheptanoyl]amino]-5-(hydroxymethyl)phenoxy]-4,5-dimethyloxan-2-yl]methyl acetate;bis(4-nitrophenyl) carbonate;tert-butyl (3R)-4-[2-[(2S,3R,4R,5S,6R)-5-acetyloxy-6-(acetyloxymethyl)-3,4-dimethyloxan-2-yl]oxy-4-(hydroxymethyl)anilino]-3-methyl-4-oxobutanoate;(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoic acid;3-hydroxy-4-nitrobenzaldehyde;(2R)-2-methyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
PubChem CID167535475
Molecular FormulaC173H221BrN10O60
Molecular Weight3480.58 g/mol
Exact Mass3477.37
IUPAC Name[(2R,3S,4R,5R,6S)-3-acetyloxy-6-[2-amino-5-(hydroxymethyl)phenoxy]-4,5-dimethyloxan-2-yl]methyl acetate;[(2R,3S,4R,5R,6S)-3-acetyloxy-6-[2-[[(2S)-2-aminopropanoyl]amino]-5-(hydroxymethyl)phenoxy]-4,5-dimethyloxan-2-yl]methyl acetate;[(2R,3S,4R,5R,6R)-3-acetyloxy-6-bromo-4,5-dimethyloxan-2-yl]methyl acetate;[(2R,3S,4R,5R,6S)-3-acetyloxy-6-[2-[[(2R,5S)-5-(9H-fluoren-9-ylmethoxycarbonylamino)-2,6-dimethyl-4-oxoheptanoyl]amino]-5-(hydroxymethyl)phenoxy]-4,5-dimethyloxan-2-yl]methyl acetate;bis(4-nitrophenyl) carbonate;tert-butyl (3R)-4-[2-[(2S,3R,4R,5S,6R)-5-acetyloxy-6-(acetyloxymethyl)-3,4-dimethyloxan-2-yl]oxy-4-(hydroxymethyl)anilino]-3-methyl-4-oxobutanoate;(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoic acid;3-hydroxy-4-nitrobenzaldehyde;(2R)-2-methyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
SMILESCC(=O)OC[C@H]1O[C@@H](Oc2cc(CO)ccc2N)[C@H](C)[C@@H](C)[C@@H]1OC(C)=O.CC(=O)OC[C@H]1O[C@@H](Oc2cc(CO)ccc2NC(=O)[C@H](C)CC(=O)OC(C)(C)C)[C@H](C)[C@@H](C)[C@@H]1OC(C)=O.CC(=O)OC[C@H]1O[C@@H](Oc2cc(CO)ccc2NC(=O)[C@H](C)CC(=O)[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(C)C)[C@H](C)[C@@H](C)[C@@H]1OC(C)=O.CC(=O)OC[C@H]1O[C@@H](Oc2cc(CO)ccc2NC(=O)[C@H](C)N)[C@H](C)[C@@H](C)[C@@H]1OC(C)=O.CC(=O)OC[C@H]1O[C@H](Br)[C@H](C)[C@@H](C)[C@@H]1OC(C)=O.CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O.C[C@H](CC(=O)OC(C)(C)C)C(=O)O.O=C(Oc1ccc([N+](=O)[O-])cc1)Oc1ccc([N+](=O)[O-])cc1.O=Cc1ccc([N+](=O)[O-])c(O)c1
InChIInChI=1S/C43H52N2O11.C28H41NO10.C22H32N2O8.C20H21NO4.C19H27NO7.C13H8N2O7.C12H19BrO5.C9H16O4.C7H5NO4/c1-23(2)39(45-43(51)53-21-34-32-14-10-8-12-30(32)31-13-9-11-15-33(31)34)36(49)18-24(3)41(50)44-35-17-16-29(20-46)19-37(35)55-42-26(5)25(4)40(54-28(7)48)38(56-42)22-52-27(6)47;1-15(11-24(33)39-28(6,7)8)26(34)29-21-10-9-20(13-30)12-22(21)37-27-17(3)16(2)25(36-19(5)32)23(38-27)14-35-18(4)31;1-11-12(2)22(32-19(10-29-14(4)26)20(11)30-15(5)27)31-18-8-16(9-25)6-7-17(18)24-21(28)13(3)23;1-12(2)18(19(22)23)21-20(24)25-11-17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17;1-10-11(2)19(26-16-7-14(8-21)5-6-15(16)20)27-17(9-24-12(3)22)18(10)25-13(4)23;16-13(21-11-5-1-9(2-6-11)14(17)18)22-12-7-3-10(4-8-12)15(19)20;1-6-7(2)12(13)18-10(5-16-8(3)14)11(6)17-9(4)15;1-6(8(11)12)5-7(10)13-9(2,3)4;9-4-5-1-2-6(8(11)12)7(10)3-5/h8-17,19,23-26,34,38-40,42,46H,18,20-22H2,1-7H3,(H,44,50)(H,45,51);9-10,12,15-17,23,25,27,30H,11,13-14H2,1-8H3,(H,29,34);6-8,11-13,19-20,22,25H,9-10,23H2,1-5H3,(H,24,28);3-10,12,17-18H,11H2,1-2H3,(H,21,24)(H,22,23);5-7,10-11,17-19,21H,8-9,20H2,1-4H3;1-8H;6-7,10-12H,5H2,1-4H3;6H,5H2,1-4H3,(H,11,12);1-4,10H/t24-,25-,26-,38-,39+,40+,42-;15-,16-,17-,23-,25+,27-;11-,12-,13+,19-,20+,22-;18-;10-,11-,17-,18+,19-;;6-,7-,10-,11+,12+;6-;/m11101.11./s1
InChIKeyAMUULKRJHDEGLR-WTRNOOFYSA-N
XLogP23.61
TPSA989.51 Ų
H-Bond Donors14
H-Bond Acceptors60
Rotatable Bonds56
Heavy Atoms244
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003480.58
LogP ≤ 523.61
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1060

Analyze [(2R,3S,4R,5R,6S)-3-acetyloxy-6-[2-amino-5-(hydroxymethyl)phenoxy]-4,5-dimethyloxan-2-yl]methyl acetate;[(2R,3S,4R,5R,6S)-3-acetyloxy-6-[2-[[(2S)-2-aminopropanoyl]amino]-5-(hydroxymethyl)phenoxy]-4,5-dimethyloxan-2-yl]methyl acetate;[(2R,3S,4R,5R,6R)-3-acetyloxy-6-bromo-4,5-dimethyloxan-2-yl]methyl acetate;[(2R,3S,4R,5R,6S)-3-acetyloxy-6-[2-[[(2R,5S)-5-(9H-fluoren-9-ylmethoxycarbonylamino)-2,6-dimethyl-4-oxoheptanoyl]amino]-5-(hydroxymethyl)phenoxy]-4,5-dimethyloxan-2-yl]methyl acetate;bis(4-nitrophenyl) carbonate;tert-butyl (3R)-4-[2-[(2S,3R,4R,5S,6R)-5-acetyloxy-6-(acetyloxymethyl)-3,4-dimethyloxan-2-yl]oxy-4-(hydroxymethyl)anilino]-3-methyl-4-oxobutanoate;(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoic acid;3-hydroxy-4-nitrobenzaldehyde;(2R)-2-methyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid with MolForge

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Related Compounds

bis(4-nitrophenyl) carbonate;9H-fluoren-9-ylmethyl N-(3-chloro-3-oxopropyl)carbamate;(5-formyl-2-hydroxyphenyl)-oxidoazanium;[5-formyl-2-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyphenyl]-oxidoazanium;[5-(hydroxymethyl)-2-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyphenyl]-oxidoazanium;[(2R,3S,4S,5R,6S)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate;[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[2-amino-4-(hydroxymethyl)phenoxy]oxan-2-yl]methyl acetate;[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-bromooxan-2-yl]methyl acetate;[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoylamino]-4-(hydroxymethyl)phenoxy]oxan-2-yl]methyl acetate;trihydrate
CID 159988286
tert-butyl (3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxo-4-[[(1S)-1-phenyl-2-[(2R,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]sulfanylethyl]amino]butanoate
CID 101385312
[(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[2-[2-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]ethoxy]ethylcarbamoyl]-4-[(4-nitrophenoxy)carbonyloxymethyl]phenoxy]oxan-2-yl]methyl acetate
CID 168986468
methyl (3S,4R,5S,6S)-3,4,5-triacetyloxy-6-[2-[5-[2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoyl]amino]propanoylamino]-2-[(4-nitrophenoxy)carbonyloxymethyl]phenyl]ethyl]oxane-2-carboxylate
CID 175266940
(2S,3S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxybutanoic acid
CID 125033093
2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoyl]amino]-3-(4-nitrophenyl)propanoic acid
CID 75218117
tert-butyl (8S)-8-(chloromethyl)-4-hydroxy-1-methyl-7,8-dihydrothieno[3,2-e]indole-6-carboxylate;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-5-[[(2R)-6-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(2-oxopropyl)hexanoyl]amino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl N-methyl-N-[2-(methylamino)ethyl]carbamate;bis((8S)-8-(chloromethyl)-1-methyl-7,8-dihydro-6H-thieno[3,2-e]indol-4-ol);[(2R,3S,4R,5R,6S)-3,4-diacetyloxy-6-[[(8S)-8-(chloromethyl)-6-[5-[(8S)-8-(chloromethyl)-4-hydroxy-1-methyl-7,8-dihydrothieno[3,2-e]indol-6-yl]-5-oxopentanoyl]-1-methyl-7,8-dihydrothieno[3,2-e]indol-4-yl]oxy]-5-methyloxan-2-yl]methyl acetate;[(2R,3S,4R,5R,6S)-3,4-diacetyloxy-6-[[(8S)-8-(chloromethyl)-6-[5-[(8S)-8-(chloromethyl)-1-methyl-4-(4-nitrophenoxy)carbonyloxy-7,8-dihydrothieno[3,2-e]indol-6-yl]-5-oxopentanoyl]-1-methyl-7,8-dihydrothieno[3,2-e]indol-4-yl]oxy]-5-methyloxan-2-yl]methyl acetate;(4-nitrophenyl) carbonochloridate;[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[[(8S)-8-(chloromethyl)-6-(5-chloro-5-oxopentanoyl)-1-methyl-7,8-dihydrothieno[3,2-e]indol-4-yl]oxy]oxan-2-yl]methyl acetate
CID 161033461
[4-[[(2S,5S)-2-[3-(carbamoylamino)propyl]-5-(9H-fluoren-9-ylmethoxycarbonylamino)-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl (4-nitrophenyl) carbonate
CID 160954158
methyl (2S,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoylamino]-5-(hydroxymethyl)phenoxy]oxane-2-carboxylate
CID 155012685
[(2S,3R,4S,5S,6R)-4,5-diacetyloxy-6-(4-formyl-2-nitrophenoxy)-3-methyloxan-2-yl]methyl acetate
CID 134392338
[5-[3-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoyl]amino]propanoylamino]-2-[(4-nitrophenoxy)carbonyloxymethyl]phenyl] hexanoate
CID 175367797
(2S)-3-[(2S,3R,4R,5R,6R)-4,5-diacetyloxy-6-(acetyloxymethyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxan-2-yl]oxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 11028939

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4R,5R,6S)-3-acetyloxy-6-[2-amino-5-(hydroxymethyl)phenoxy]-4,5-dimethyloxan-2-yl]methyl acetate;[(2R,3S,4R,5R,6S)-3-acetyloxy-6-[2-[[(2S)-2-aminopropanoyl]amino]-5-(hydroxymethyl)phenoxy]-4,5-dimethyloxan-2-yl]methyl acetate;[(2R,3S,4R,5R,6R)-3-acetyloxy-6-bromo-4,5-dimethyloxan-2-yl]methyl acetate;[(2R,3S,4R,5R,6S)-3-acetyloxy-6-[2-[[(2R,5S)-5-(9H-fluoren-9-ylmethoxycarbonylamino)-2,6-dimethyl-4-oxoheptanoyl]amino]-5-(hydroxymethyl)phenoxy]-4,5-dimethyloxan-2-yl]methyl acetate;bis(4-nitrophenyl) carbonate;tert-butyl (3R)-4-[2-[(2S,3R,4R,5S,6R)-5-acetyloxy-6-(acetyloxymethyl)-3,4-dimethyloxan-2-yl]oxy-4-(hydroxymethyl)anilino]-3-methyl-4-oxobutanoate;(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoic acid;3-hydroxy-4-nitrobenzaldehyde;(2R)-2-methyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid?
The IUPAC name of [(2R,3S,4R,5R,6S)-3-acetyloxy-6-[2-amino-5-(hydroxymethyl)phenoxy]-4,5-dimethyloxan-2-yl]methyl acetate;[(2R,3S,4R,5R,6S)-3-acetyloxy-6-[2-[[(2S)-2-aminopropanoyl]amino]-5-(hydroxymethyl)phenoxy]-4,5-dimethyloxan-2-yl]methyl acetate;[(2R,3S,4R,5R,6R)-3-acetyloxy-6-bromo-4,5-dimethyloxan-2-yl]methyl acetate;[(2R,3S,4R,5R,6S)-3-acetyloxy-6-[2-[[(2R,5S)-5-(9H-fluoren-9-ylmethoxycarbonylamino)-2,6-dimethyl-4-oxoheptanoyl]amino]-5-(hydroxymethyl)phenoxy]-4,5-dimethyloxan-2-yl]methyl acetate;bis(4-nitrophenyl) carbonate;tert-butyl (3R)-4-[2-[(2S,3R,4R,5S,6R)-5-acetyloxy-6-(acetyloxymethyl)-3,4-dimethyloxan-2-yl]oxy-4-(hydroxymethyl)anilino]-3-methyl-4-oxobutanoate;(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoic acid;3-hydroxy-4-nitrobenzaldehyde;(2R)-2-methyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid (CID 167535475) is [(2R,3S,4R,5R,6S)-3-acetyloxy-6-[2-amino-5-(hydroxymethyl)phenoxy]-4,5-dimethyloxan-2-yl]methyl acetate;[(2R,3S,4R,5R,6S)-3-acetyloxy-6-[2-[[(2S)-2-aminopropanoyl]amino]-5-(hydroxymethyl)phenoxy]-4,5-dimethyloxan-2-yl]methyl acetate;[(2R,3S,4R,5R,6R)-3-acetyloxy-6-bromo-4,5-dimethyloxan-2-yl]methyl acetate;[(2R,3S,4R,5R,6S)-3-acetyloxy-6-[2-[[(2R,5S)-5-(9H-fluoren-9-ylmethoxycarbonylamino)-2,6-dimethyl-4-oxoheptanoyl]amino]-5-(hydroxymethyl)phenoxy]-4,5-dimethyloxan-2-yl]methyl acetate;bis(4-nitrophenyl) carbonate;tert-butyl (3R)-4-[2-[(2S,3R,4R,5S,6R)-5-acetyloxy-6-(acetyloxymethyl)-3,4-dimethyloxan-2-yl]oxy-4-(hydroxymethyl)anilino]-3-methyl-4-oxobutanoate;(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoic acid;3-hydroxy-4-nitrobenzaldehyde;(2R)-2-methyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid.
What is the SMILES notation for [(2R,3S,4R,5R,6S)-3-acetyloxy-6-[2-amino-5-(hydroxymethyl)phenoxy]-4,5-dimethyloxan-2-yl]methyl acetate;[(2R,3S,4R,5R,6S)-3-acetyloxy-6-[2-[[(2S)-2-aminopropanoyl]amino]-5-(hydroxymethyl)phenoxy]-4,5-dimethyloxan-2-yl]methyl acetate;[(2R,3S,4R,5R,6R)-3-acetyloxy-6-bromo-4,5-dimethyloxan-2-yl]methyl acetate;[(2R,3S,4R,5R,6S)-3-acetyloxy-6-[2-[[(2R,5S)-5-(9H-fluoren-9-ylmethoxycarbonylamino)-2,6-dimethyl-4-oxoheptanoyl]amino]-5-(hydroxymethyl)phenoxy]-4,5-dimethyloxan-2-yl]methyl acetate;bis(4-nitrophenyl) carbonate;tert-butyl (3R)-4-[2-[(2S,3R,4R,5S,6R)-5-acetyloxy-6-(acetyloxymethyl)-3,4-dimethyloxan-2-yl]oxy-4-(hydroxymethyl)anilino]-3-methyl-4-oxobutanoate;(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoic acid;3-hydroxy-4-nitrobenzaldehyde;(2R)-2-methyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid?
The canonical SMILES for [(2R,3S,4R,5R,6S)-3-acetyloxy-6-[2-amino-5-(hydroxymethyl)phenoxy]-4,5-dimethyloxan-2-yl]methyl acetate;[(2R,3S,4R,5R,6S)-3-acetyloxy-6-[2-[[(2S)-2-aminopropanoyl]amino]-5-(hydroxymethyl)phenoxy]-4,5-dimethyloxan-2-yl]methyl acetate;[(2R,3S,4R,5R,6R)-3-acetyloxy-6-bromo-4,5-dimethyloxan-2-yl]methyl acetate;[(2R,3S,4R,5R,6S)-3-acetyloxy-6-[2-[[(2R,5S)-5-(9H-fluoren-9-ylmethoxycarbonylamino)-2,6-dimethyl-4-oxoheptanoyl]amino]-5-(hydroxymethyl)phenoxy]-4,5-dimethyloxan-2-yl]methyl acetate;bis(4-nitrophenyl) carbonate;tert-butyl (3R)-4-[2-[(2S,3R,4R,5S,6R)-5-acetyloxy-6-(acetyloxymethyl)-3,4-dimethyloxan-2-yl]oxy-4-(hydroxymethyl)anilino]-3-methyl-4-oxobutanoate;(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoic acid;3-hydroxy-4-nitrobenzaldehyde;(2R)-2-methyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid is CC(=O)OC[C@H]1O[C@@H](Oc2cc(CO)ccc2N)[C@H](C)[C@@H](C)[C@@H]1OC(C)=O.CC(=O)OC[C@H]1O[C@@H](Oc2cc(CO)ccc2NC(=O)[C@H](C)CC(=O)OC(C)(C)C)[C@H](C)[C@@H](C)[C@@H]1OC(C)=O.CC(=O)OC[C@H]1O[C@@H](Oc2cc(CO)ccc2NC(=O)[C@H](C)CC(=O)[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(C)C)[C@H](C)[C@@H](C)[C@@H]1OC(C)=O.CC(=O)OC[C@H]1O[C@@H](Oc2cc(CO)ccc2NC(=O)[C@H](C)N)[C@H](C)[C@@H](C)[C@@H]1OC(C)=O.CC(=O)OC[C@H]1O[C@H](Br)[C@H](C)[C@@H](C)[C@@H]1OC(C)=O.CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O.C[C@H](CC(=O)OC(C)(C)C)C(=O)O.O=C(Oc1ccc([N+](=O)[O-])cc1)Oc1ccc([N+](=O)[O-])cc1.O=Cc1ccc([N+](=O)[O-])c(O)c1.
What is the InChIKey of [(2R,3S,4R,5R,6S)-3-acetyloxy-6-[2-amino-5-(hydroxymethyl)phenoxy]-4,5-dimethyloxan-2-yl]methyl acetate;[(2R,3S,4R,5R,6S)-3-acetyloxy-6-[2-[[(2S)-2-aminopropanoyl]amino]-5-(hydroxymethyl)phenoxy]-4,5-dimethyloxan-2-yl]methyl acetate;[(2R,3S,4R,5R,6R)-3-acetyloxy-6-bromo-4,5-dimethyloxan-2-yl]methyl acetate;[(2R,3S,4R,5R,6S)-3-acetyloxy-6-[2-[[(2R,5S)-5-(9H-fluoren-9-ylmethoxycarbonylamino)-2,6-dimethyl-4-oxoheptanoyl]amino]-5-(hydroxymethyl)phenoxy]-4,5-dimethyloxan-2-yl]methyl acetate;bis(4-nitrophenyl) carbonate;tert-butyl (3R)-4-[2-[(2S,3R,4R,5S,6R)-5-acetyloxy-6-(acetyloxymethyl)-3,4-dimethyloxan-2-yl]oxy-4-(hydroxymethyl)anilino]-3-methyl-4-oxobutanoate;(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoic acid;3-hydroxy-4-nitrobenzaldehyde;(2R)-2-methyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid?
The InChIKey is AMUULKRJHDEGLR-WTRNOOFYSA-N. The full InChI is InChI=1S/C43H52N2O11.C28H41NO10.C22H32N2O8.C20H21NO4.C19H27NO7.C13H8N2O7.C12H19BrO5.C9H16O4.C7H5NO4/c1-23(2)39(45-43(51)53-21-34-32-14-10-8-12-30(32)31-13-9-11-15-33(31)34)36(49)18-24(3)41(50)44-35-17-16-29(20-46)19-37(35)55-42-26(5)25(4)40(54-28(7)48)38(56-42)22-52-27(6)47;1-15(11-24(33)39-28(6,7)8)26(34)29-21-10-9-20(13-30)12-22(21)37-27-17(3)16(2)25(36-19(5)32)23(38-27)14-35-18(4)31;1-11-12(2)22(32-19(10-29-14(4)26)20(11)30-15(5)27)31-18-8-16(9-25)6-7-17(18)24-21(28)13(3)23;1-12(2)18(19(22)23)21-20(24)25-11-17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17;1-10-11(2)19(26-16-7-14(8-21)5-6-15(16)20)27-17(9-24-12(3)22)18(10)25-13(4)23;16-13(21-11-5-1-9(2-6-11)14(17)18)22-12-7-3-10(4-8-12)15(19)20;1-6-7(2)12(13)18-10(5-16-8(3)14)11(6)17-9(4)15;1-6(8(11)12)5-7(10)13-9(2,3)4;9-4-5-1-2-6(8(11)12)7(10)3-5/h8-17,19,23-26,34,38-40,42,46H,18,20-22H2,1-7H3,(H,44,50)(H,45,51);9-10,12,15-17,23,25,27,30H,11,13-14H2,1-8H3,(H,29,34);6-8,11-13,19-20,22,25H,9-10,23H2,1-5H3,(H,24,28);3-10,12,17-18H,11H2,1-2H3,(H,21,24)(H,22,23);5-7,10-11,17-19,21H,8-9,20H2,1-4H3;1-8H;6-7,10-12H,5H2,1-4H3;6H,5H2,1-4H3,(H,11,12);1-4,10H/t24-,25-,26-,38-,39+,40+,42-;15-,16-,17-,23-,25+,27-;11-,12-,13+,19-,20+,22-;18-;10-,11-,17-,18+,19-;;6-,7-,10-,11+,12+;6-;/m11101.11./s1.
What are the key properties of [(2R,3S,4R,5R,6S)-3-acetyloxy-6-[2-amino-5-(hydroxymethyl)phenoxy]-4,5-dimethyloxan-2-yl]methyl acetate;[(2R,3S,4R,5R,6S)-3-acetyloxy-6-[2-[[(2S)-2-aminopropanoyl]amino]-5-(hydroxymethyl)phenoxy]-4,5-dimethyloxan-2-yl]methyl acetate;[(2R,3S,4R,5R,6R)-3-acetyloxy-6-bromo-4,5-dimethyloxan-2-yl]methyl acetate;[(2R,3S,4R,5R,6S)-3-acetyloxy-6-[2-[[(2R,5S)-5-(9H-fluoren-9-ylmethoxycarbonylamino)-2,6-dimethyl-4-oxoheptanoyl]amino]-5-(hydroxymethyl)phenoxy]-4,5-dimethyloxan-2-yl]methyl acetate;bis(4-nitrophenyl) carbonate;tert-butyl (3R)-4-[2-[(2S,3R,4R,5S,6R)-5-acetyloxy-6-(acetyloxymethyl)-3,4-dimethyloxan-2-yl]oxy-4-(hydroxymethyl)anilino]-3-methyl-4-oxobutanoate;(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoic acid;3-hydroxy-4-nitrobenzaldehyde;(2R)-2-methyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid?
[(2R,3S,4R,5R,6S)-3-acetyloxy-6-[2-amino-5-(hydroxymethyl)phenoxy]-4,5-dimethyloxan-2-yl]methyl acetate;[(2R,3S,4R,5R,6S)-3-acetyloxy-6-[2-[[(2S)-2-aminopropanoyl]amino]-5-(hydroxymethyl)phenoxy]-4,5-dimethyloxan-2-yl]methyl acetate;[(2R,3S,4R,5R,6R)-3-acetyloxy-6-bromo-4,5-dimethyloxan-2-yl]methyl acetate;[(2R,3S,4R,5R,6S)-3-acetyloxy-6-[2-[[(2R,5S)-5-(9H-fluoren-9-ylmethoxycarbonylamino)-2,6-dimethyl-4-oxoheptanoyl]amino]-5-(hydroxymethyl)phenoxy]-4,5-dimethyloxan-2-yl]methyl acetate;bis(4-nitrophenyl) carbonate;tert-butyl (3R)-4-[2-[(2S,3R,4R,5S,6R)-5-acetyloxy-6-(acetyloxymethyl)-3,4-dimethyloxan-2-yl]oxy-4-(hydroxymethyl)anilino]-3-methyl-4-oxobutanoate;(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoic acid;3-hydroxy-4-nitrobenzaldehyde;(2R)-2-methyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid has a molecular weight of 3480.58 g/mol, XLogP of 23.61, 56 rotatable bonds, 14 hydrogen bond donors, and 60 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4R,5R,6S)-3-acetyloxy-6-[2-amino-5-(hydroxymethyl)phenoxy]-4,5-dimethyloxan-2-yl]methyl acetate;[(2R,3S,4R,5R,6S)-3-acetyloxy-6-[2-[[(2S)-2-aminopropanoyl]amino]-5-(hydroxymethyl)phenoxy]-4,5-dimethyloxan-2-yl]methyl acetate;[(2R,3S,4R,5R,6R)-3-acetyloxy-6-bromo-4,5-dimethyloxan-2-yl]methyl acetate;[(2R,3S,4R,5R,6S)-3-acetyloxy-6-[2-[[(2R,5S)-5-(9H-fluoren-9-ylmethoxycarbonylamino)-2,6-dimethyl-4-oxoheptanoyl]amino]-5-(hydroxymethyl)phenoxy]-4,5-dimethyloxan-2-yl]methyl acetate;bis(4-nitrophenyl) carbonate;tert-butyl (3R)-4-[2-[(2S,3R,4R,5S,6R)-5-acetyloxy-6-(acetyloxymethyl)-3,4-dimethyloxan-2-yl]oxy-4-(hydroxymethyl)anilino]-3-methyl-4-oxobutanoate;(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoic acid;3-hydroxy-4-nitrobenzaldehyde;(2R)-2-methyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid is sourced from PubChem (CID 167535475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).