[(3R,4R)-3-acetyloxy-6-hex-5-enoxy-4-methyl-5-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]methyl acetate;(4R,5R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;[(3R,4R,6S)-3,6-diacetyloxy-4-methyl-5-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]methyl acetate;5-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxypentanoic acid;5-[(2S,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxypentanoic acid;(2,5-dioxopyrrolidin-1-yl) 5-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxypentanoate;(2,5-dioxopyrrolidin-1-yl) 5-[(2S,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxypentanoate;(2,5-dioxopyrrolidin-1-yl) 5-[(2R,4R,5R)-4-methyl-5-phenylmethoxy-6-(phenylmethoxymethyl)-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxypentanoate;ethane;ethyl acetate;hex-5-en-1-ol;methyl 5-[(2S,4R,5R)-5-acetyloxy-6-(acetyloxymethyl)-4-methyl-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxypentanoate;methyl 5-[(2R,4R,5R)-5-acetyloxy-6-(acetyloxymethyl)-4-methyl-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxypentanoate;bis(methyl 5-hydroxypentanoate);5-[(4R,5R)-4-methyl-5-phenylmethoxy-6-(phenylmethoxymethyl)-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxypentanoic acid;tetrachlorostannane;2,2,2-trifluoro-N-[(4R,5R)-2-hex-5-enoxy-4-methyl-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]acetamide;2,2,2-trifluoro-N-[(4R,5R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;hydrochloride

C259H373Cl5F36N16O110Sn — CID 159698304

IUPAC[(3R,4R)-3-acetyloxy-6-hex-5-enoxy-4-methyl-5-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]methyl acetate;(4R,5R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;[(3R,4R,6S)-3,6-diacetyloxy-4-methyl-5-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]methyl acetate;5-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxypentanoic acid;5-[(2S,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxypentanoic acid;(2,5-dioxopyrrolidin-1-yl) 5-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxypentanoate;(2,5-dioxopyrrolidin-1-yl) 5-[(2S,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxypentanoate;(2,5-dioxopyrrolidin-1-yl) 5-[(2R,4R,5R)-4-methyl-5-phenylmethoxy-6-(phenylmethoxymethyl)-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxypentanoate;ethane;ethyl acetate;hex-5-en-1-ol;methyl 5-[(2S,4R,5R)-5-acetyloxy-6-(acetyloxymethyl)-4-methyl-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxypentanoate;methyl 5-[(2R,4R,5R)-5-acetyloxy-6-(acetyloxymethyl)-4-methyl-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxypentanoate;bis(methyl 5-hydroxypentanoate);5-[(4R,5R)-4-methyl-5-phenylmethoxy-6-(phenylmethoxymethyl)-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxypentanoic acid;tetrachlorostannane;2,2,2-trifluoro-N-[(4R,5R)-2-hex-5-enoxy-4-methyl-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]acetamide;2,2,2-trifluoro-N-[(4R,5R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;hydrochloride
SMILESC=CCCCCO.C=CCCCCOC1OC(COC(C)=O)[C@H](OC(C)=O)[C@H](C)C1NC(=O)C(F)(F)F.C=CCCCCOC1OC(COCc2ccccc2)[C@H](OCc2ccccc2)[C@H](C)C1NC(=O)C(F)(F)F.CC.CC(=O)OCC1O[C@@H](OC(C)=O)C(NC(=O)C(F)(F)F)[C@@H](C)[C@H]1OC(C)=O.CCOC(C)=O.COC(=O)CCCCO.COC(=O)CCCCO.COC(=O)CCCCO[C@@H]1OC(COC(C)=O)[C@H](OC(C)=O)[C@H](C)C1NC(=O)C(F)(F)F.COC(=O)CCCCO[C@H]1OC(COC(C)=O)[C@H](OC(C)=O)[C@H](C)C1NC(=O)C(F)(F)F.C[C@@H]1C(NC(=O)C(F)(F)F)C(OCCCCC(=O)O)OC(COCc2ccccc2)[C@@H]1OCc1ccccc1.C[C@@H]1C(NC(=O)C(F)(F)F)[C@H](OCCCCC(=O)ON2C(=O)CCC2=O)OC(COCc2ccccc2)[C@@H]1OCc1ccccc1.Cl.Cl[Sn](Cl)(Cl)Cl.NC1C(O)OC(CO)[C@H](O)[C@@H]1O.O=C(CCCCO[C@@H]1OC(CO)[C@H](O)[C@H](O)C1NC(=O)C(F)(F)F)ON1C(=O)CCC1=O.O=C(CCCCO[C@H]1OC(CO)[C@H](O)[C@H](O)C1NC(=O)C(F)(F)F)ON1C(=O)CCC1=O.O=C(NC1C(O)OC(CO)[C@H](O)[C@@H]1O)C(F)(F)F.O=C(O)CCCCO[C@@H]1OC(CO)[C@H](O)[C@H](O)C1NC(=O)C(F)(F)F.O=C(O)CCCCO[C@H]1OC(CO)[C@H](O)[C@H](O)C1NC(=O)C(F)(F)F
InChIInChI=1S/C32H37F3N2O9.C29H36F3NO5.C28H34F3NO7.2C19H28F3NO9.C19H28F3NO7.2C17H23F3N2O10.C15H20F3NO8.2C13H20F3NO8.C8H12F3NO6.C6H13NO5.2C6H12O3.C6H12O.C4H8O2.C2H6.5ClH.Sn/c1-21-28(36-31(41)32(33,34)35)30(43-17-9-8-14-27(40)46-37-25(38)15-16-26(37)39)45-24(20-42-18-22-10-4-2-5-11-22)29(21)44-19-23-12-6-3-7-13-23;1-3-4-5-12-17-36-27-25(33-28(34)29(30,31)32)21(2)26(37-19-23-15-10-7-11-16-23)24(38-27)20-35-18-22-13-8-6-9-14-22;1-19-24(32-27(35)28(29,30)31)26(37-15-9-8-14-23(33)34)39-22(18-36-16-20-10-4-2-5-11-20)25(19)38-17-21-12-6-3-7-13-21;2*1-10-15(23-18(27)19(20,21)22)17(29-8-6-5-7-14(26)28-4)32-13(9-30-11(2)24)16(10)31-12(3)25;1-5-6-7-8-9-27-17-15(23-18(26)19(20,21)22)11(2)16(29-13(4)25)14(30-17)10-28-12(3)24;2*18-17(19,20)16(29)21-12-14(28)13(27)8(7-23)31-15(12)30-6-2-1-3-11(26)32-22-9(24)4-5-10(22)25;1-6-11(19-14(23)15(16,17)18)13(26-9(4)22)27-10(5-24-7(2)20)12(6)25-8(3)21;2*14-13(15,16)12(23)17-8-10(22)9(21)6(5-18)25-11(8)24-4-2-1-3-7(19)20;9-8(10,11)7(17)12-3-5(15)4(14)2(1-13)18-6(3)16;7-3-5(10)4(9)2(1-8)12-6(3)11;2*1-9-6(8)4-2-3-5-7;1-2-3-4-5-6-7;1-3-6-4(2)5;1-2;;;;;;/h2-7,10-13,21,24,28-30H,8-9,14-20H2,1H3,(H,36,41);3,6-11,13-16,21,24-27H,1,4-5,12,17-20H2,2H3,(H,33,34);2-7,10-13,19,22,24-26H,8-9,14-18H2,1H3,(H,32,35)(H,33,34);2*10,13,15-17H,5-9H2,1-4H3,(H,23,27);5,11,14-17H,1,6-10H2,2-4H3,(H,23,26);2*8,12-15,23,27-28H,1-7H2,(H,21,29);6,10-13H,5H2,1-4H3,(H,19,23);2*6,8-11,18,21-22H,1-5H2,(H,17,23)(H,19,20);2-6,13-16H,1H2,(H,12,17);2-6,8-11H,1,7H2;2*7H,2-5H2,1H3;2,7H,1,3-6H2;3H2,1-2H3;1-2H3;5*1H;/q;;;;;;;;;;;;;;;;;;;;;;;+4/p-4/t21-,24?,28?,29-,30-;21-,24?,25?,26-,27?;19-,22?,24?,25-,26?;10-,13?,15?,16-,17+;10-,13?,15?,16-,17-;11-,14?,15?,16-,17?;8?,12?,13-,14+,15+;8?,12?,13-,14+,15-;6-,10?,11?,12-,13-;6?,8?,9-,10+,11+;6?,8?,9-,10+,11-;2*2?,3?,4-,5+,6?;;;;;;;;;;;/m1111110010000.........../s1
InChIKeyDHWWVRNUEVCCRY-RPMTZPQKSA-J
MW6450.74 g/mol
LogP13.85
Rot. Bonds128

About [(3R,4R)-3-acetyloxy-6-hex-5-enoxy-4-methyl-5-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]methyl acetate;(4R,5R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;[(3R,4R,6S)-3,6-diacetyloxy-4-methyl-5-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]methyl acetate;5-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxypentanoic acid;5-[(2S,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxypentanoic acid;(2,5-dioxopyrrolidin-1-yl) 5-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxypentanoate;(2,5-dioxopyrrolidin-1-yl) 5-[(2S,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxypentanoate;(2,5-dioxopyrrolidin-1-yl) 5-[(2R,4R,5R)-4-methyl-5-phenylmethoxy-6-(phenylmethoxymethyl)-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxypentanoate;ethane;ethyl acetate;hex-5-en-1-ol;methyl 5-[(2S,4R,5R)-5-acetyloxy-6-(acetyloxymethyl)-4-methyl-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxypentanoate;methyl 5-[(2R,4R,5R)-5-acetyloxy-6-(acetyloxymethyl)-4-methyl-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxypentanoate;bis(methyl 5-hydroxypentanoate);5-[(4R,5R)-4-methyl-5-phenylmethoxy-6-(phenylmethoxymethyl)-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxypentanoic acid;tetrachlorostannane;2,2,2-trifluoro-N-[(4R,5R)-2-hex-5-enoxy-4-methyl-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]acetamide;2,2,2-trifluoro-N-[(4R,5R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;hydrochloride

[(3R,4R)-3-acetyloxy-6-hex-5-enoxy-4-methyl-5-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]methyl acetate;(4R,5R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;[(3R,4R,6S)-3,6-diacetyloxy-4-methyl-5-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]methyl acetate;5-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxypentanoic acid;5-[(2S,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxypentanoic acid;(2,5-dioxopyrrolidin-1-yl) 5-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxypentanoate;(2,5-dioxopyrrolidin-1-yl) 5-[(2S,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxypentanoate;(2,5-dioxopyrrolidin-1-yl) 5-[(2R,4R,5R)-4-methyl-5-phenylmethoxy-6-(phenylmethoxymethyl)-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxypentanoate;ethane;ethyl acetate;hex-5-en-1-ol;methyl 5-[(2S,4R,5R)-5-acetyloxy-6-(acetyloxymethyl)-4-methyl-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxypentanoate;methyl 5-[(2R,4R,5R)-5-acetyloxy-6-(acetyloxymethyl)-4-methyl-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxypentanoate;bis(methyl 5-hydroxypentanoate);5-[(4R,5R)-4-methyl-5-phenylmethoxy-6-(phenylmethoxymethyl)-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxypentanoic acid;tetrachlorostannane;2,2,2-trifluoro-N-[(4R,5R)-2-hex-5-enoxy-4-methyl-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]acetamide;2,2,2-trifluoro-N-[(4R,5R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;hydrochloride (PubChem CID 159698304) has the molecular formula C259H373Cl5F36N16O110Sn and a molecular weight of 6450.74 g/mol. Its IUPAC name is [(3R,4R)-3-acetyloxy-6-hex-5-enoxy-4-methyl-5-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]methyl acetate;(4R,5R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;[(3R,4R,6S)-3,6-diacetyloxy-4-methyl-5-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]methyl acetate;5-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxypentanoic acid;5-[(2S,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxypentanoic acid;(2,5-dioxopyrrolidin-1-yl) 5-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxypentanoate;(2,5-dioxopyrrolidin-1-yl) 5-[(2S,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxypentanoate;(2,5-dioxopyrrolidin-1-yl) 5-[(2R,4R,5R)-4-methyl-5-phenylmethoxy-6-(phenylmethoxymethyl)-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxypentanoate;ethane;ethyl acetate;hex-5-en-1-ol;methyl 5-[(2S,4R,5R)-5-acetyloxy-6-(acetyloxymethyl)-4-methyl-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxypentanoate;methyl 5-[(2R,4R,5R)-5-acetyloxy-6-(acetyloxymethyl)-4-methyl-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxypentanoate;bis(methyl 5-hydroxypentanoate);5-[(4R,5R)-4-methyl-5-phenylmethoxy-6-(phenylmethoxymethyl)-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxypentanoic acid;tetrachlorostannane;2,2,2-trifluoro-N-[(4R,5R)-2-hex-5-enoxy-4-methyl-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]acetamide;2,2,2-trifluoro-N-[(4R,5R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;hydrochloride.

Molecular Properties

Compound Name[(3R,4R)-3-acetyloxy-6-hex-5-enoxy-4-methyl-5-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]methyl acetate;(4R,5R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;[(3R,4R,6S)-3,6-diacetyloxy-4-methyl-5-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]methyl acetate;5-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxypentanoic acid;5-[(2S,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxypentanoic acid;(2,5-dioxopyrrolidin-1-yl) 5-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxypentanoate;(2,5-dioxopyrrolidin-1-yl) 5-[(2S,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxypentanoate;(2,5-dioxopyrrolidin-1-yl) 5-[(2R,4R,5R)-4-methyl-5-phenylmethoxy-6-(phenylmethoxymethyl)-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxypentanoate;ethane;ethyl acetate;hex-5-en-1-ol;methyl 5-[(2S,4R,5R)-5-acetyloxy-6-(acetyloxymethyl)-4-methyl-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxypentanoate;methyl 5-[(2R,4R,5R)-5-acetyloxy-6-(acetyloxymethyl)-4-methyl-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxypentanoate;bis(methyl 5-hydroxypentanoate);5-[(4R,5R)-4-methyl-5-phenylmethoxy-6-(phenylmethoxymethyl)-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxypentanoic acid;tetrachlorostannane;2,2,2-trifluoro-N-[(4R,5R)-2-hex-5-enoxy-4-methyl-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]acetamide;2,2,2-trifluoro-N-[(4R,5R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;hydrochloride
PubChem CID159698304
Molecular FormulaC259H373Cl5F36N16O110Sn
Molecular Weight6450.74 g/mol
Exact Mass6446.10
IUPAC Name[(3R,4R)-3-acetyloxy-6-hex-5-enoxy-4-methyl-5-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]methyl acetate;(4R,5R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;[(3R,4R,6S)-3,6-diacetyloxy-4-methyl-5-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]methyl acetate;5-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxypentanoic acid;5-[(2S,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxypentanoic acid;(2,5-dioxopyrrolidin-1-yl) 5-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxypentanoate;(2,5-dioxopyrrolidin-1-yl) 5-[(2S,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxypentanoate;(2,5-dioxopyrrolidin-1-yl) 5-[(2R,4R,5R)-4-methyl-5-phenylmethoxy-6-(phenylmethoxymethyl)-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxypentanoate;ethane;ethyl acetate;hex-5-en-1-ol;methyl 5-[(2S,4R,5R)-5-acetyloxy-6-(acetyloxymethyl)-4-methyl-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxypentanoate;methyl 5-[(2R,4R,5R)-5-acetyloxy-6-(acetyloxymethyl)-4-methyl-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxypentanoate;bis(methyl 5-hydroxypentanoate);5-[(4R,5R)-4-methyl-5-phenylmethoxy-6-(phenylmethoxymethyl)-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxypentanoic acid;tetrachlorostannane;2,2,2-trifluoro-N-[(4R,5R)-2-hex-5-enoxy-4-methyl-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]acetamide;2,2,2-trifluoro-N-[(4R,5R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;hydrochloride
SMILESC=CCCCCO.C=CCCCCOC1OC(COC(C)=O)[C@H](OC(C)=O)[C@H](C)C1NC(=O)C(F)(F)F.C=CCCCCOC1OC(COCc2ccccc2)[C@H](OCc2ccccc2)[C@H](C)C1NC(=O)C(F)(F)F.CC.CC(=O)OCC1O[C@@H](OC(C)=O)C(NC(=O)C(F)(F)F)[C@@H](C)[C@H]1OC(C)=O.CCOC(C)=O.COC(=O)CCCCO.COC(=O)CCCCO.COC(=O)CCCCO[C@@H]1OC(COC(C)=O)[C@H](OC(C)=O)[C@H](C)C1NC(=O)C(F)(F)F.COC(=O)CCCCO[C@H]1OC(COC(C)=O)[C@H](OC(C)=O)[C@H](C)C1NC(=O)C(F)(F)F.C[C@@H]1C(NC(=O)C(F)(F)F)C(OCCCCC(=O)O)OC(COCc2ccccc2)[C@@H]1OCc1ccccc1.C[C@@H]1C(NC(=O)C(F)(F)F)[C@H](OCCCCC(=O)ON2C(=O)CCC2=O)OC(COCc2ccccc2)[C@@H]1OCc1ccccc1.Cl.Cl[Sn](Cl)(Cl)Cl.NC1C(O)OC(CO)[C@H](O)[C@@H]1O.O=C(CCCCO[C@@H]1OC(CO)[C@H](O)[C@H](O)C1NC(=O)C(F)(F)F)ON1C(=O)CCC1=O.O=C(CCCCO[C@H]1OC(CO)[C@H](O)[C@H](O)C1NC(=O)C(F)(F)F)ON1C(=O)CCC1=O.O=C(NC1C(O)OC(CO)[C@H](O)[C@@H]1O)C(F)(F)F.O=C(O)CCCCO[C@@H]1OC(CO)[C@H](O)[C@H](O)C1NC(=O)C(F)(F)F.O=C(O)CCCCO[C@H]1OC(CO)[C@H](O)[C@H](O)C1NC(=O)C(F)(F)F
InChIInChI=1S/C32H37F3N2O9.C29H36F3NO5.C28H34F3NO7.2C19H28F3NO9.C19H28F3NO7.2C17H23F3N2O10.C15H20F3NO8.2C13H20F3NO8.C8H12F3NO6.C6H13NO5.2C6H12O3.C6H12O.C4H8O2.C2H6.5ClH.Sn/c1-21-28(36-31(41)32(33,34)35)30(43-17-9-8-14-27(40)46-37-25(38)15-16-26(37)39)45-24(20-42-18-22-10-4-2-5-11-22)29(21)44-19-23-12-6-3-7-13-23;1-3-4-5-12-17-36-27-25(33-28(34)29(30,31)32)21(2)26(37-19-23-15-10-7-11-16-23)24(38-27)20-35-18-22-13-8-6-9-14-22;1-19-24(32-27(35)28(29,30)31)26(37-15-9-8-14-23(33)34)39-22(18-36-16-20-10-4-2-5-11-20)25(19)38-17-21-12-6-3-7-13-21;2*1-10-15(23-18(27)19(20,21)22)17(29-8-6-5-7-14(26)28-4)32-13(9-30-11(2)24)16(10)31-12(3)25;1-5-6-7-8-9-27-17-15(23-18(26)19(20,21)22)11(2)16(29-13(4)25)14(30-17)10-28-12(3)24;2*18-17(19,20)16(29)21-12-14(28)13(27)8(7-23)31-15(12)30-6-2-1-3-11(26)32-22-9(24)4-5-10(22)25;1-6-11(19-14(23)15(16,17)18)13(26-9(4)22)27-10(5-24-7(2)20)12(6)25-8(3)21;2*14-13(15,16)12(23)17-8-10(22)9(21)6(5-18)25-11(8)24-4-2-1-3-7(19)20;9-8(10,11)7(17)12-3-5(15)4(14)2(1-13)18-6(3)16;7-3-5(10)4(9)2(1-8)12-6(3)11;2*1-9-6(8)4-2-3-5-7;1-2-3-4-5-6-7;1-3-6-4(2)5;1-2;;;;;;/h2-7,10-13,21,24,28-30H,8-9,14-20H2,1H3,(H,36,41);3,6-11,13-16,21,24-27H,1,4-5,12,17-20H2,2H3,(H,33,34);2-7,10-13,19,22,24-26H,8-9,14-18H2,1H3,(H,32,35)(H,33,34);2*10,13,15-17H,5-9H2,1-4H3,(H,23,27);5,11,14-17H,1,6-10H2,2-4H3,(H,23,26);2*8,12-15,23,27-28H,1-7H2,(H,21,29);6,10-13H,5H2,1-4H3,(H,19,23);2*6,8-11,18,21-22H,1-5H2,(H,17,23)(H,19,20);2-6,13-16H,1H2,(H,12,17);2-6,8-11H,1,7H2;2*7H,2-5H2,1H3;2,7H,1,3-6H2;3H2,1-2H3;1-2H3;5*1H;/q;;;;;;;;;;;;;;;;;;;;;;;+4/p-4/t21-,24?,28?,29-,30-;21-,24?,25?,26-,27?;19-,22?,24?,25-,26?;10-,13?,15?,16-,17+;10-,13?,15?,16-,17-;11-,14?,15?,16-,17?;8?,12?,13-,14+,15+;8?,12?,13-,14+,15-;6-,10?,11?,12-,13-;6?,8?,9-,10+,11+;6?,8?,9-,10+,11-;2*2?,3?,4-,5+,6?;;;;;;;;;;;/m1111110010000.........../s1
InChIKeyDHWWVRNUEVCCRY-RPMTZPQKSA-J
XLogP13.85
TPSA1779.32 Ų
H-Bond Donors39
H-Bond Acceptors108
Rotatable Bonds128
Heavy Atoms427
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5006450.74
LogP ≤ 513.85
H-Bond Donors ≤ 539
H-Bond Acceptors ≤ 10108

Analyze [(3R,4R)-3-acetyloxy-6-hex-5-enoxy-4-methyl-5-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]methyl acetate;(4R,5R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;[(3R,4R,6S)-3,6-diacetyloxy-4-methyl-5-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]methyl acetate;5-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxypentanoic acid;5-[(2S,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxypentanoic acid;(2,5-dioxopyrrolidin-1-yl) 5-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxypentanoate;(2,5-dioxopyrrolidin-1-yl) 5-[(2S,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxypentanoate;(2,5-dioxopyrrolidin-1-yl) 5-[(2R,4R,5R)-4-methyl-5-phenylmethoxy-6-(phenylmethoxymethyl)-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxypentanoate;ethane;ethyl acetate;hex-5-en-1-ol;methyl 5-[(2S,4R,5R)-5-acetyloxy-6-(acetyloxymethyl)-4-methyl-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxypentanoate;methyl 5-[(2R,4R,5R)-5-acetyloxy-6-(acetyloxymethyl)-4-methyl-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxypentanoate;bis(methyl 5-hydroxypentanoate);5-[(4R,5R)-4-methyl-5-phenylmethoxy-6-(phenylmethoxymethyl)-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxypentanoic acid;tetrachlorostannane;2,2,2-trifluoro-N-[(4R,5R)-2-hex-5-enoxy-4-methyl-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]acetamide;2,2,2-trifluoro-N-[(4R,5R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;hydrochloride with MolForge

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Related Compounds

5-[(2R,4R,5R)-4-methyl-5-phenylmethoxy-6-(phenylmethoxymethyl)-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxypentanoic acid
CID 167569149
methyl 9-[(2R,3R,4R,5S,6R)-3-acetamido-4-acetyloxy-6-(phenylmethoxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]oxynonanoate
CID 101470519
methyl 6-[(2S,3R,4S,5R,6R)-4,5-diacetyloxy-6-(acetyloxymethyl)-3-phenylmethoxyoxan-2-yl]oxyhexanoate
CID 10744620
(5-acetyloxy-3-hydroxy-6-pent-4-enoxy-4-phenylmethoxyoxan-2-yl)methyl acetate
CID 58627400
[(2R,3S,4S,5R,6R)-4-acetyloxy-6-pent-4-enoxy-3,5-bis(phenylmethoxy)oxan-2-yl]methyl acetate
CID 101146005
[(2R,3R,4S,5R,6S)-6-[(2R,3S,4R,5R,6R)-5-acetamido-4-acetyloxy-2-(phenylmethoxymethyl)-6-[3-[(2,2,2-trifluoroacetyl)amino]propoxy]oxan-3-yl]oxy-5-acetyloxy-3,4-dihydroxyoxan-2-yl]methyl acetate
CID 169230166
sodium;acetyl acetate;(2R,4S,5S)-2-(4-benzylsulfanylbutoxy)-6-(hydroxymethyl)oxane-3,4,5-triol;but-3-en-1-ol;ethoxyethane;(2R,4S,5S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;[(3R,4S,6R)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate;[(3R,4S,6R)-3,4,5-triacetyloxy-6-(4-benzylsulfanylbutoxy)oxan-2-yl]methyl acetate;[(3R,4S,6R)-3,4,5-triacetyloxy-6-but-3-enoxyoxan-2-yl]methyl acetate;trifluoroborane;acetate
CID 158398122
[(2R,3S,4R,5S,6R)-3-hydroxy-2-(hydroxymethyl)-6-pent-4-enoxy-5-(phenylmethoxycarbonylamino)oxan-4-yl] acetate
CID 11407582
[(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-5-amino-3-hydroxy-2-(hydroxymethyl)-6-(6-methoxy-6-oxohexoxy)oxan-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-3-yl] benzoate
CID 10843799
5-[(2R,4R,5R)-3-acetamido-5-acetyloxy-6-(acetyloxymethyl)-4-methyloxan-2-yl]oxypentanoic acid;[(3R,4R,6S)-5-acetamido-3,6-diacetyloxy-4-methyloxan-2-yl]methyl acetate;methane
CID 160740893
(6-acetyloxy-3,4,5-trimethyloxan-2-yl)methyl acetate;3-(aminoiodanuidylmethyl)-6-(hydroxymethyl)oxane-2,4,5-triol;benzoyl benzoate;5-[6-(benzoyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxypentanoic acid;N,N-diethylethanamine;methanol;[6-(5-methoxy-5-oxopentoxy)-3,4,5-trimethyloxan-2-yl]methyl benzoate;methyl 5-[6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxypentanoate;methyl 5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoate;methyl 5-hydroxypentanoate;oxan-2-one;(2,6,7-trimethyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]oxazol-5-yl)methyl acetate;trimethylsilyl trifluoromethanesulfonate
CID 159356800
2-[(2R,3R,4R,5R,6R)-5-acetamido-2-(acetyloxymethyl)-4-(carboxymethyl)-6-[5-(2,5-dioxopyrrolidin-1-yl)oxy-5-oxopentoxy]oxan-3-yl]acetic acid
CID 170434751

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-3-acetyloxy-6-hex-5-enoxy-4-methyl-5-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]methyl acetate;(4R,5R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;[(3R,4R,6S)-3,6-diacetyloxy-4-methyl-5-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]methyl acetate;5-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxypentanoic acid;5-[(2S,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxypentanoic acid;(2,5-dioxopyrrolidin-1-yl) 5-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxypentanoate;(2,5-dioxopyrrolidin-1-yl) 5-[(2S,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxypentanoate;(2,5-dioxopyrrolidin-1-yl) 5-[(2R,4R,5R)-4-methyl-5-phenylmethoxy-6-(phenylmethoxymethyl)-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxypentanoate;ethane;ethyl acetate;hex-5-en-1-ol;methyl 5-[(2S,4R,5R)-5-acetyloxy-6-(acetyloxymethyl)-4-methyl-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxypentanoate;methyl 5-[(2R,4R,5R)-5-acetyloxy-6-(acetyloxymethyl)-4-methyl-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxypentanoate;bis(methyl 5-hydroxypentanoate);5-[(4R,5R)-4-methyl-5-phenylmethoxy-6-(phenylmethoxymethyl)-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxypentanoic acid;tetrachlorostannane;2,2,2-trifluoro-N-[(4R,5R)-2-hex-5-enoxy-4-methyl-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]acetamide;2,2,2-trifluoro-N-[(4R,5R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;hydrochloride?
The IUPAC name of [(3R,4R)-3-acetyloxy-6-hex-5-enoxy-4-methyl-5-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]methyl acetate;(4R,5R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;[(3R,4R,6S)-3,6-diacetyloxy-4-methyl-5-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]methyl acetate;5-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxypentanoic acid;5-[(2S,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxypentanoic acid;(2,5-dioxopyrrolidin-1-yl) 5-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxypentanoate;(2,5-dioxopyrrolidin-1-yl) 5-[(2S,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxypentanoate;(2,5-dioxopyrrolidin-1-yl) 5-[(2R,4R,5R)-4-methyl-5-phenylmethoxy-6-(phenylmethoxymethyl)-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxypentanoate;ethane;ethyl acetate;hex-5-en-1-ol;methyl 5-[(2S,4R,5R)-5-acetyloxy-6-(acetyloxymethyl)-4-methyl-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxypentanoate;methyl 5-[(2R,4R,5R)-5-acetyloxy-6-(acetyloxymethyl)-4-methyl-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxypentanoate;bis(methyl 5-hydroxypentanoate);5-[(4R,5R)-4-methyl-5-phenylmethoxy-6-(phenylmethoxymethyl)-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxypentanoic acid;tetrachlorostannane;2,2,2-trifluoro-N-[(4R,5R)-2-hex-5-enoxy-4-methyl-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]acetamide;2,2,2-trifluoro-N-[(4R,5R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;hydrochloride (CID 159698304) is [(3R,4R)-3-acetyloxy-6-hex-5-enoxy-4-methyl-5-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]methyl acetate;(4R,5R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;[(3R,4R,6S)-3,6-diacetyloxy-4-methyl-5-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]methyl acetate;5-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxypentanoic acid;5-[(2S,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxypentanoic acid;(2,5-dioxopyrrolidin-1-yl) 5-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxypentanoate;(2,5-dioxopyrrolidin-1-yl) 5-[(2S,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxypentanoate;(2,5-dioxopyrrolidin-1-yl) 5-[(2R,4R,5R)-4-methyl-5-phenylmethoxy-6-(phenylmethoxymethyl)-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxypentanoate;ethane;ethyl acetate;hex-5-en-1-ol;methyl 5-[(2S,4R,5R)-5-acetyloxy-6-(acetyloxymethyl)-4-methyl-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxypentanoate;methyl 5-[(2R,4R,5R)-5-acetyloxy-6-(acetyloxymethyl)-4-methyl-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxypentanoate;bis(methyl 5-hydroxypentanoate);5-[(4R,5R)-4-methyl-5-phenylmethoxy-6-(phenylmethoxymethyl)-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxypentanoic acid;tetrachlorostannane;2,2,2-trifluoro-N-[(4R,5R)-2-hex-5-enoxy-4-methyl-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]acetamide;2,2,2-trifluoro-N-[(4R,5R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;hydrochloride.
What is the SMILES notation for [(3R,4R)-3-acetyloxy-6-hex-5-enoxy-4-methyl-5-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]methyl acetate;(4R,5R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;[(3R,4R,6S)-3,6-diacetyloxy-4-methyl-5-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]methyl acetate;5-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxypentanoic acid;5-[(2S,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxypentanoic acid;(2,5-dioxopyrrolidin-1-yl) 5-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxypentanoate;(2,5-dioxopyrrolidin-1-yl) 5-[(2S,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxypentanoate;(2,5-dioxopyrrolidin-1-yl) 5-[(2R,4R,5R)-4-methyl-5-phenylmethoxy-6-(phenylmethoxymethyl)-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxypentanoate;ethane;ethyl acetate;hex-5-en-1-ol;methyl 5-[(2S,4R,5R)-5-acetyloxy-6-(acetyloxymethyl)-4-methyl-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxypentanoate;methyl 5-[(2R,4R,5R)-5-acetyloxy-6-(acetyloxymethyl)-4-methyl-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxypentanoate;bis(methyl 5-hydroxypentanoate);5-[(4R,5R)-4-methyl-5-phenylmethoxy-6-(phenylmethoxymethyl)-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxypentanoic acid;tetrachlorostannane;2,2,2-trifluoro-N-[(4R,5R)-2-hex-5-enoxy-4-methyl-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]acetamide;2,2,2-trifluoro-N-[(4R,5R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;hydrochloride?
The canonical SMILES for [(3R,4R)-3-acetyloxy-6-hex-5-enoxy-4-methyl-5-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]methyl acetate;(4R,5R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;[(3R,4R,6S)-3,6-diacetyloxy-4-methyl-5-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]methyl acetate;5-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxypentanoic acid;5-[(2S,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxypentanoic acid;(2,5-dioxopyrrolidin-1-yl) 5-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxypentanoate;(2,5-dioxopyrrolidin-1-yl) 5-[(2S,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxypentanoate;(2,5-dioxopyrrolidin-1-yl) 5-[(2R,4R,5R)-4-methyl-5-phenylmethoxy-6-(phenylmethoxymethyl)-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxypentanoate;ethane;ethyl acetate;hex-5-en-1-ol;methyl 5-[(2S,4R,5R)-5-acetyloxy-6-(acetyloxymethyl)-4-methyl-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxypentanoate;methyl 5-[(2R,4R,5R)-5-acetyloxy-6-(acetyloxymethyl)-4-methyl-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxypentanoate;bis(methyl 5-hydroxypentanoate);5-[(4R,5R)-4-methyl-5-phenylmethoxy-6-(phenylmethoxymethyl)-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxypentanoic acid;tetrachlorostannane;2,2,2-trifluoro-N-[(4R,5R)-2-hex-5-enoxy-4-methyl-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]acetamide;2,2,2-trifluoro-N-[(4R,5R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;hydrochloride is C=CCCCCO.C=CCCCCOC1OC(COC(C)=O)[C@H](OC(C)=O)[C@H](C)C1NC(=O)C(F)(F)F.C=CCCCCOC1OC(COCc2ccccc2)[C@H](OCc2ccccc2)[C@H](C)C1NC(=O)C(F)(F)F.CC.CC(=O)OCC1O[C@@H](OC(C)=O)C(NC(=O)C(F)(F)F)[C@@H](C)[C@H]1OC(C)=O.CCOC(C)=O.COC(=O)CCCCO.COC(=O)CCCCO.COC(=O)CCCCO[C@@H]1OC(COC(C)=O)[C@H](OC(C)=O)[C@H](C)C1NC(=O)C(F)(F)F.COC(=O)CCCCO[C@H]1OC(COC(C)=O)[C@H](OC(C)=O)[C@H](C)C1NC(=O)C(F)(F)F.C[C@@H]1C(NC(=O)C(F)(F)F)C(OCCCCC(=O)O)OC(COCc2ccccc2)[C@@H]1OCc1ccccc1.C[C@@H]1C(NC(=O)C(F)(F)F)[C@H](OCCCCC(=O)ON2C(=O)CCC2=O)OC(COCc2ccccc2)[C@@H]1OCc1ccccc1.Cl.Cl[Sn](Cl)(Cl)Cl.NC1C(O)OC(CO)[C@H](O)[C@@H]1O.O=C(CCCCO[C@@H]1OC(CO)[C@H](O)[C@H](O)C1NC(=O)C(F)(F)F)ON1C(=O)CCC1=O.O=C(CCCCO[C@H]1OC(CO)[C@H](O)[C@H](O)C1NC(=O)C(F)(F)F)ON1C(=O)CCC1=O.O=C(NC1C(O)OC(CO)[C@H](O)[C@@H]1O)C(F)(F)F.O=C(O)CCCCO[C@@H]1OC(CO)[C@H](O)[C@H](O)C1NC(=O)C(F)(F)F.O=C(O)CCCCO[C@H]1OC(CO)[C@H](O)[C@H](O)C1NC(=O)C(F)(F)F.
What is the InChIKey of [(3R,4R)-3-acetyloxy-6-hex-5-enoxy-4-methyl-5-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]methyl acetate;(4R,5R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;[(3R,4R,6S)-3,6-diacetyloxy-4-methyl-5-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]methyl acetate;5-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxypentanoic acid;5-[(2S,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxypentanoic acid;(2,5-dioxopyrrolidin-1-yl) 5-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxypentanoate;(2,5-dioxopyrrolidin-1-yl) 5-[(2S,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxypentanoate;(2,5-dioxopyrrolidin-1-yl) 5-[(2R,4R,5R)-4-methyl-5-phenylmethoxy-6-(phenylmethoxymethyl)-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxypentanoate;ethane;ethyl acetate;hex-5-en-1-ol;methyl 5-[(2S,4R,5R)-5-acetyloxy-6-(acetyloxymethyl)-4-methyl-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxypentanoate;methyl 5-[(2R,4R,5R)-5-acetyloxy-6-(acetyloxymethyl)-4-methyl-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxypentanoate;bis(methyl 5-hydroxypentanoate);5-[(4R,5R)-4-methyl-5-phenylmethoxy-6-(phenylmethoxymethyl)-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxypentanoic acid;tetrachlorostannane;2,2,2-trifluoro-N-[(4R,5R)-2-hex-5-enoxy-4-methyl-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]acetamide;2,2,2-trifluoro-N-[(4R,5R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;hydrochloride?
The InChIKey is DHWWVRNUEVCCRY-RPMTZPQKSA-J. The full InChI is InChI=1S/C32H37F3N2O9.C29H36F3NO5.C28H34F3NO7.2C19H28F3NO9.C19H28F3NO7.2C17H23F3N2O10.C15H20F3NO8.2C13H20F3NO8.C8H12F3NO6.C6H13NO5.2C6H12O3.C6H12O.C4H8O2.C2H6.5ClH.Sn/c1-21-28(36-31(41)32(33,34)35)30(43-17-9-8-14-27(40)46-37-25(38)15-16-26(37)39)45-24(20-42-18-22-10-4-2-5-11-22)29(21)44-19-23-12-6-3-7-13-23;1-3-4-5-12-17-36-27-25(33-28(34)29(30,31)32)21(2)26(37-19-23-15-10-7-11-16-23)24(38-27)20-35-18-22-13-8-6-9-14-22;1-19-24(32-27(35)28(29,30)31)26(37-15-9-8-14-23(33)34)39-22(18-36-16-20-10-4-2-5-11-20)25(19)38-17-21-12-6-3-7-13-21;2*1-10-15(23-18(27)19(20,21)22)17(29-8-6-5-7-14(26)28-4)32-13(9-30-11(2)24)16(10)31-12(3)25;1-5-6-7-8-9-27-17-15(23-18(26)19(20,21)22)11(2)16(29-13(4)25)14(30-17)10-28-12(3)24;2*18-17(19,20)16(29)21-12-14(28)13(27)8(7-23)31-15(12)30-6-2-1-3-11(26)32-22-9(24)4-5-10(22)25;1-6-11(19-14(23)15(16,17)18)13(26-9(4)22)27-10(5-24-7(2)20)12(6)25-8(3)21;2*14-13(15,16)12(23)17-8-10(22)9(21)6(5-18)25-11(8)24-4-2-1-3-7(19)20;9-8(10,11)7(17)12-3-5(15)4(14)2(1-13)18-6(3)16;7-3-5(10)4(9)2(1-8)12-6(3)11;2*1-9-6(8)4-2-3-5-7;1-2-3-4-5-6-7;1-3-6-4(2)5;1-2;;;;;;/h2-7,10-13,21,24,28-30H,8-9,14-20H2,1H3,(H,36,41);3,6-11,13-16,21,24-27H,1,4-5,12,17-20H2,2H3,(H,33,34);2-7,10-13,19,22,24-26H,8-9,14-18H2,1H3,(H,32,35)(H,33,34);2*10,13,15-17H,5-9H2,1-4H3,(H,23,27);5,11,14-17H,1,6-10H2,2-4H3,(H,23,26);2*8,12-15,23,27-28H,1-7H2,(H,21,29);6,10-13H,5H2,1-4H3,(H,19,23);2*6,8-11,18,21-22H,1-5H2,(H,17,23)(H,19,20);2-6,13-16H,1H2,(H,12,17);2-6,8-11H,1,7H2;2*7H,2-5H2,1H3;2,7H,1,3-6H2;3H2,1-2H3;1-2H3;5*1H;/q;;;;;;;;;;;;;;;;;;;;;;;+4/p-4/t21-,24?,28?,29-,30-;21-,24?,25?,26-,27?;19-,22?,24?,25-,26?;10-,13?,15?,16-,17+;10-,13?,15?,16-,17-;11-,14?,15?,16-,17?;8?,12?,13-,14+,15+;8?,12?,13-,14+,15-;6-,10?,11?,12-,13-;6?,8?,9-,10+,11+;6?,8?,9-,10+,11-;2*2?,3?,4-,5+,6?;;;;;;;;;;;/m1111110010000.........../s1.
What are the key properties of [(3R,4R)-3-acetyloxy-6-hex-5-enoxy-4-methyl-5-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]methyl acetate;(4R,5R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;[(3R,4R,6S)-3,6-diacetyloxy-4-methyl-5-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]methyl acetate;5-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxypentanoic acid;5-[(2S,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxypentanoic acid;(2,5-dioxopyrrolidin-1-yl) 5-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxypentanoate;(2,5-dioxopyrrolidin-1-yl) 5-[(2S,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxypentanoate;(2,5-dioxopyrrolidin-1-yl) 5-[(2R,4R,5R)-4-methyl-5-phenylmethoxy-6-(phenylmethoxymethyl)-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxypentanoate;ethane;ethyl acetate;hex-5-en-1-ol;methyl 5-[(2S,4R,5R)-5-acetyloxy-6-(acetyloxymethyl)-4-methyl-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxypentanoate;methyl 5-[(2R,4R,5R)-5-acetyloxy-6-(acetyloxymethyl)-4-methyl-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxypentanoate;bis(methyl 5-hydroxypentanoate);5-[(4R,5R)-4-methyl-5-phenylmethoxy-6-(phenylmethoxymethyl)-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxypentanoic acid;tetrachlorostannane;2,2,2-trifluoro-N-[(4R,5R)-2-hex-5-enoxy-4-methyl-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]acetamide;2,2,2-trifluoro-N-[(4R,5R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;hydrochloride?
[(3R,4R)-3-acetyloxy-6-hex-5-enoxy-4-methyl-5-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]methyl acetate;(4R,5R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;[(3R,4R,6S)-3,6-diacetyloxy-4-methyl-5-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]methyl acetate;5-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxypentanoic acid;5-[(2S,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxypentanoic acid;(2,5-dioxopyrrolidin-1-yl) 5-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxypentanoate;(2,5-dioxopyrrolidin-1-yl) 5-[(2S,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxypentanoate;(2,5-dioxopyrrolidin-1-yl) 5-[(2R,4R,5R)-4-methyl-5-phenylmethoxy-6-(phenylmethoxymethyl)-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxypentanoate;ethane;ethyl acetate;hex-5-en-1-ol;methyl 5-[(2S,4R,5R)-5-acetyloxy-6-(acetyloxymethyl)-4-methyl-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxypentanoate;methyl 5-[(2R,4R,5R)-5-acetyloxy-6-(acetyloxymethyl)-4-methyl-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxypentanoate;bis(methyl 5-hydroxypentanoate);5-[(4R,5R)-4-methyl-5-phenylmethoxy-6-(phenylmethoxymethyl)-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxypentanoic acid;tetrachlorostannane;2,2,2-trifluoro-N-[(4R,5R)-2-hex-5-enoxy-4-methyl-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]acetamide;2,2,2-trifluoro-N-[(4R,5R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;hydrochloride has a molecular weight of 6450.74 g/mol, XLogP of 13.85, 128 rotatable bonds, 39 hydrogen bond donors, and 108 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-3-acetyloxy-6-hex-5-enoxy-4-methyl-5-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]methyl acetate;(4R,5R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;[(3R,4R,6S)-3,6-diacetyloxy-4-methyl-5-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]methyl acetate;5-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxypentanoic acid;5-[(2S,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxypentanoic acid;(2,5-dioxopyrrolidin-1-yl) 5-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxypentanoate;(2,5-dioxopyrrolidin-1-yl) 5-[(2S,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxypentanoate;(2,5-dioxopyrrolidin-1-yl) 5-[(2R,4R,5R)-4-methyl-5-phenylmethoxy-6-(phenylmethoxymethyl)-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxypentanoate;ethane;ethyl acetate;hex-5-en-1-ol;methyl 5-[(2S,4R,5R)-5-acetyloxy-6-(acetyloxymethyl)-4-methyl-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxypentanoate;methyl 5-[(2R,4R,5R)-5-acetyloxy-6-(acetyloxymethyl)-4-methyl-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxypentanoate;bis(methyl 5-hydroxypentanoate);5-[(4R,5R)-4-methyl-5-phenylmethoxy-6-(phenylmethoxymethyl)-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxypentanoic acid;tetrachlorostannane;2,2,2-trifluoro-N-[(4R,5R)-2-hex-5-enoxy-4-methyl-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]acetamide;2,2,2-trifluoro-N-[(4R,5R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;hydrochloride is sourced from PubChem (CID 159698304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).