(2R,4R,5R,6R)-2-[[(2R,3S,4R,5R,6R)-5-amino-6-[(2R,3S,4R,5S)-5-amino-2,3,4,6-tetrahydroxyhexoxy]-3,4-dihydroxyoxan-2-yl]methoxy]-5-[(2R,3S,4S,5S,6R)-5-[(2S,3S,4S,5R,6R)-3-[(2R,3R,4R,5R,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[(1R)-1,2-dihydroxyethyl]-4-hydroxyoxane-2-carboxylic acid

C50H89N3O40 — CID 91861217

IUPAC(2R,4R,5R,6R)-2-[[(2R,3S,4R,5R,6R)-5-amino-6-[(2R,3S,4R,5S)-5-amino-2,3,4,6-tetrahydroxyhexoxy]-3,4-dihydroxyoxan-2-yl]methoxy]-5-[(2R,3S,4S,5S,6R)-5-[(2S,3S,4S,5R,6R)-3-[(2R,3R,4R,5R,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[(1R)-1,2-dihydroxyethyl]-4-hydroxyoxane-2-carboxylic acid
SMILESN[C@H]1[C@@H](O[C@@H]2[C@H](O[C@H]3[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O[C@H]4[C@@H]([C@H](O)CO)O[C@@](OC[C@H]5O[C@@H](OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](N)CO)[C@H](N)[C@@H](O)[C@@H]5O)(C(=O)O)C[C@H]4O)O[C@@H]3CO)O[C@H](CO)[C@@H](O)[C@@H]2O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@H](CO)[C@H](O)[C@@H]1O
InChIInChI=1S/C50H89N3O40/c51-11(2-54)23(64)24(65)14(63)9-80-43-21(52)30(71)28(69)20(87-43)10-81-50(49(78)79)1-12(61)37(38(93-50)13(62)3-55)88-47-41(91-46-35(76)33(74)27(68)17(6-58)84-46)36(77)39(19(8-60)86-47)89-48-42(92-44-22(53)31(72)25(66)15(4-56)82-44)40(29(70)18(7-59)85-48)90-45-34(75)32(73)26(67)16(5-57)83-45/h11-48,54-77H,1-10,51-53H2,(H,78,79)/t11-,12+,13+,14+,15+,16+,17+,18+,19+,20+,21+,22+,23+,24+,25-,26+,27+,28+,29+,30+,31+,32-,33-,34+,35+,36-,37+,38+,39+,40-,41-,42-,43+,44+,45+,46-,47+,48-,50+/m0/s1
InChIKeySTXCABIMJHSTGO-XPNMMIHVSA-N
MW1372.24 g/mol
LogP-19.07
Rot. Bonds28

About (2R,4R,5R,6R)-2-[[(2R,3S,4R,5R,6R)-5-amino-6-[(2R,3S,4R,5S)-5-amino-2,3,4,6-tetrahydroxyhexoxy]-3,4-dihydroxyoxan-2-yl]methoxy]-5-[(2R,3S,4S,5S,6R)-5-[(2S,3S,4S,5R,6R)-3-[(2R,3R,4R,5R,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[(1R)-1,2-dihydroxyethyl]-4-hydroxyoxane-2-carboxylic acid

(2R,4R,5R,6R)-2-[[(2R,3S,4R,5R,6R)-5-amino-6-[(2R,3S,4R,5S)-5-amino-2,3,4,6-tetrahydroxyhexoxy]-3,4-dihydroxyoxan-2-yl]methoxy]-5-[(2R,3S,4S,5S,6R)-5-[(2S,3S,4S,5R,6R)-3-[(2R,3R,4R,5R,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[(1R)-1,2-dihydroxyethyl]-4-hydroxyoxane-2-carboxylic acid (PubChem CID 91861217) has the molecular formula C50H89N3O40 and a molecular weight of 1372.24 g/mol. Its IUPAC name is (2R,4R,5R,6R)-2-[[(2R,3S,4R,5R,6R)-5-amino-6-[(2R,3S,4R,5S)-5-amino-2,3,4,6-tetrahydroxyhexoxy]-3,4-dihydroxyoxan-2-yl]methoxy]-5-[(2R,3S,4S,5S,6R)-5-[(2S,3S,4S,5R,6R)-3-[(2R,3R,4R,5R,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[(1R)-1,2-dihydroxyethyl]-4-hydroxyoxane-2-carboxylic acid.

Molecular Properties

Compound Name(2R,4R,5R,6R)-2-[[(2R,3S,4R,5R,6R)-5-amino-6-[(2R,3S,4R,5S)-5-amino-2,3,4,6-tetrahydroxyhexoxy]-3,4-dihydroxyoxan-2-yl]methoxy]-5-[(2R,3S,4S,5S,6R)-5-[(2S,3S,4S,5R,6R)-3-[(2R,3R,4R,5R,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[(1R)-1,2-dihydroxyethyl]-4-hydroxyoxane-2-carboxylic acid
PubChem CID91861217
Molecular FormulaC50H89N3O40
Molecular Weight1372.24 g/mol
Exact Mass1371.50
IUPAC Name(2R,4R,5R,6R)-2-[[(2R,3S,4R,5R,6R)-5-amino-6-[(2R,3S,4R,5S)-5-amino-2,3,4,6-tetrahydroxyhexoxy]-3,4-dihydroxyoxan-2-yl]methoxy]-5-[(2R,3S,4S,5S,6R)-5-[(2S,3S,4S,5R,6R)-3-[(2R,3R,4R,5R,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[(1R)-1,2-dihydroxyethyl]-4-hydroxyoxane-2-carboxylic acid
SMILESN[C@H]1[C@@H](O[C@@H]2[C@H](O[C@H]3[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O[C@H]4[C@@H]([C@H](O)CO)O[C@@](OC[C@H]5O[C@@H](OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](N)CO)[C@H](N)[C@@H](O)[C@@H]5O)(C(=O)O)C[C@H]4O)O[C@@H]3CO)O[C@H](CO)[C@@H](O)[C@@H]2O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@H](CO)[C@H](O)[C@@H]1O
InChIInChI=1S/C50H89N3O40/c51-11(2-54)23(64)24(65)14(63)9-80-43-21(52)30(71)28(69)20(87-43)10-81-50(49(78)79)1-12(61)37(38(93-50)13(62)3-55)88-47-41(91-46-35(76)33(74)27(68)17(6-58)84-46)36(77)39(19(8-60)86-47)89-48-42(92-44-22(53)31(72)25(66)15(4-56)82-44)40(29(70)18(7-59)85-48)90-45-34(75)32(73)26(67)16(5-57)83-45/h11-48,54-77H,1-10,51-53H2,(H,78,79)/t11-,12+,13+,14+,15+,16+,17+,18+,19+,20+,21+,22+,23+,24+,25-,26+,27+,28+,29+,30+,31+,32-,33-,34+,35+,36-,37+,38+,39+,40-,41-,42-,43+,44+,45+,46-,47+,48-,50+/m0/s1
InChIKeySTXCABIMJHSTGO-XPNMMIHVSA-N
XLogP-19.07
TPSA730.10 Ų
H-Bond Donors28
H-Bond Acceptors42
Rotatable Bonds28
Heavy Atoms93
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001372.24
LogP ≤ 5-19.07
H-Bond Donors ≤ 528
H-Bond Acceptors ≤ 1042

Analyze (2R,4R,5R,6R)-2-[[(2R,3S,4R,5R,6R)-5-amino-6-[(2R,3S,4R,5S)-5-amino-2,3,4,6-tetrahydroxyhexoxy]-3,4-dihydroxyoxan-2-yl]methoxy]-5-[(2R,3S,4S,5S,6R)-5-[(2S,3S,4S,5R,6R)-3-[(2R,3R,4R,5R,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[(1R)-1,2-dihydroxyethyl]-4-hydroxyoxane-2-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

(2R,4R,5R,6R)-2-[[(2R,3S,4R,5R,6R)-5-amino-6-[(2R,3S,4R,5S)-5-amino-2,3,4,6-tetrahydroxyhexoxy]-3,4-dihydroxyoxan-2-yl]methoxy]-6-[(1R)-1,2-dihydroxyethyl]-5-[(2S,3S,4R,5R,6R)-6-[(1S)-1,2-dihydroxyethyl]-4-[(2R,3S,4S,5R,6R)-6-[(1S)-1,2-dihydroxyethyl]-3-[(2R,3S,4S,5S,6R)-6-[(1S)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5R,6R)-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-5-hydroxyoxan-2-yl]oxy-5-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxyoxan-2-yl]oxy-4-hydroxyoxane-2-carboxylic acid
CID 91855141
(2R,4R,5R,6R)-2-[[(2R,3S,4R,5R,6R)-5-amino-6-[(2R,3S,4R,5S)-5-amino-2,3,4,6-tetrahydroxyhexoxy]-3,4-dihydroxyoxan-2-yl]methoxy]-5-[(2R,3S,4S,5R,6R)-4-[(2R,3S,4S,5S,6R)-3-[(2R,3S,4S,5S,6R)-3-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(1R)-2-[(2R,3R,4R,5R,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-1-hydroxyethyl]-4,5-dihydroxyoxan-2-yl]oxy-6-[(1S)-1,2-dihydroxyethyl]-4,5-dihydroxyoxan-2-yl]oxy-6-[(1S)-2-[2-aminoethoxy(hydroxy)phosphoryl]oxy-1-hydroxyethyl]-3,5-dihydroxyoxan-2-yl]oxy-6-[(1R)-1,2-dihydroxyethyl]-4-hydroxyoxane-2-carboxylic acid
CID 91861609
(2S,4R,5R,6R)-5-[(2R,3S,4S,5R,6R)-4-[(2S,3R,4R,5S,6R)-3-amino-5-[(2S,3R,4R,5S,6R)-3-amino-6-[[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxy-6-[[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4-hydroxyoxan-2-yl]oxy-3,5-dihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-6-[(1R)-1,2-dihydroxyethyl]-2,4-dihydroxyoxane-2-carboxylic acid
CID 171123529
(2R,4R,5R,6R)-2-[(2R,4R,5R,6R)-2-[[(2R,3S,4R,5R,6R)-5-amino-6-[[(2R,3S,4R,5R,6S)-5-amino-3,4,6-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-3-phosphonooxyoxan-2-yl]methoxy]-5-[(2S,3S,4R,5R,6R)-4-[(2R,3S,4S,5R,6R)-4-[(2R,3R,4S,5S,6R)-4-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(1S)-2-[(2S,3S,4S,5S,6R)-6-[(1S)-2-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-hydroxyethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-1-hydroxyethyl]-3,5-dihydroxyoxan-2-yl]oxy-6-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-phosphonooxyoxan-2-yl]oxy-2-carboxy-6-[(1R)-1,2-dihydroxyethyl]oxan-4-yl]oxy-6-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxyoxane-2-carboxylic acid
CID 91854629
2-[2-[[5-amino-6-[(5-amino-3,4-dihydroxy-6-phosphonooxyoxan-2-yl)methoxy]-4-hydroxy-3-phosphonooxyoxan-2-yl]methoxy]-2-carboxy-6-(1,2-dihydroxyethyl)-5-[6-(1,2-dihydroxyethyl)-4-[6-[2-[6-(1,2-dihydroxyethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-1-hydroxyethyl]-4-[4-[3-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-3-hydroxy-5-phosphonooxyoxan-2-yl]oxy-3-hydroxy-5-phosphonooxyoxan-2-yl]oxyoxan-4-yl]oxy-6-(1,2-dihydroxyethyl)-4,5-dihydroxyoxane-2-carboxylic acid
CID 75107053
(2R,4R,5R)-5-amino-2-[[(3R,5S,6S)-6-[(3S,5S,6S)-6-[(2R,5S,6R)-2-[(3R,5R,6S)-2-[[(2S,3R,5S)-4,5-dihydroxy-3-[(2S,5S,6S)-4-hydroxy-6-(hydroxymethyl)-3-methyl-5-[(4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,5-dihydroxy-6-[(3S,5S,6S)-4-hydroxy-6-[(3S,5S,6S)-4-hydroxy-2-(hydroxymethyl)-5,6-dimethyloxan-3-yl]oxy-2-(hydroxymethyl)-5-methyloxan-3-yl]oxyoxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)-5-methyloxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid
CID 118477032
(2R,4R,5R)-5-amino-2-[[(3R,5S,6S)-6-[(3S,5S,6S)-6-[(2R,5S,6R)-2-[(3R,6S)-2-[[(2S,3R,5S)-4,5-dihydroxy-3-[(2S,5S,6S)-4-hydroxy-6-(hydroxymethyl)-3-methyl-5-[(2S,3S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,5-dihydroxy-6-[(3S,5S,6S)-4-hydroxy-6-[(3S,5S,6S)-4-hydroxy-2-(hydroxymethyl)-5,6-dimethyloxan-3-yl]oxy-2-(hydroxymethyl)-5-methyloxan-3-yl]oxyoxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)-5-methyloxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
CID 129200199
(2S,4R,5R,6R)-2-[(2R,3S,4S,5R,6R)-2-[(2R,3S,4R,5S,6R)-6-[(2R,3R,4R,6R)-4-[(2R,4R,5R,6R)-4-[(2S,3R,4R,5S,6R)-3-amino-6-[[[(2R,3R,4S,5S)-5-amino-3,4-dihydroxyoxan-2-yl]oxy-hydroxyphosphoryl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxy-2-carboxy-6-[(1R)-1,2-dihydroxyethyl]-5-hydroxyoxan-2-yl]oxy-6-[[(2R,3S,4R,5R,6R)-5-amino-6-[[(2R,3S,4R,5R,6S)-5-amino-3,4,6-trihydroxyoxan-2-yl]methoxy]-3,4-dihydroxyoxan-2-yl]methoxy]-6-carboxy-2-[(1R)-1,2-dihydroxyethyl]oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3-[(2R,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-5-hydroxyoxan-4-yl]oxy-6-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxyoxane-2-carboxylic acid
CID 91855733
(2R,3S,4S,5R,6R)-2-[(2R,4R,5R,6R)-2-[[(2R,3S,4R,5R,6R)-5-amino-6-[[(2R,3S,4R,5R,6S)-5-amino-3,4,6-trihydroxyoxan-2-yl]methoxy]-3,4-dihydroxyoxan-2-yl]methoxy]-2-carboxy-6-[(1R)-1,2-dihydroxyethyl]-5-[(2R,3S,4R,5R,6R)-6-[(1S)-1,2-dihydroxyethyl]-4-[(2R,3S,4S,5S,6R)-6-[(1S)-2-[(2S,3S,4S,5S,6R)-6-[(1S)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-1-hydroxyethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyoxan-4-yl]oxy-6-[(1R)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxane-2-carboxylic acid
CID 91845869
(2R,4R,5R,6R)-2-[(2R,4R,5R,6R)-5-[(2S,3S,4R,5R,6R)-4-[(2R,3S,4R,5R,6R)-4-[(2R,3R,4S,5R,6R)-4-[(2R,3R,4S,5S,6R)-3-[(2R,3R,4S,5S,6R)-3-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-6-[(1S)-2-[(2S,3S,4S,5S,6R)-6-[(1S)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-1-hydroxyethyl]-3-hydroxy-5-phosphonooxyoxan-2-yl]oxy-6-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-phosphonooxyoxan-2-yl]oxy-2-[[(2R,3S,4R,5R,6R)-5-amino-6-[[(2R,3S,4R,5R,6R)-5-amino-3,4-dihydroxy-6-phosphonooxyoxan-2-yl]methoxy]-4-hydroxy-3-phosphonooxyoxan-2-yl]methoxy]-2-carboxy-6-[(1R)-1,2-dihydroxyethyl]oxan-4-yl]oxy-6-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxyoxane-2-carboxylic acid
CID 45266836
(2R,4R,5S,6R)-2-[[(2R,3S,4R,5R,6R)-5-amino-6-[[(2R,3S,4R,5R,6S)-5-amino-3,4,6-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-3-phosphonooxyoxan-2-yl]methoxy]-6-[(1R)-1,2-dihydroxyethyl]-5-[(2R,3S,4R,5R,6R)-6-[(1S)-1,2-dihydroxyethyl]-5-[(2S,3R,4R,5R,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-hydroxy-4-phosphonooxyoxan-2-yl]oxy-4-phosphonooxyoxane-2-carboxylic acid
CID 91848073
(2R,4R,5R,6R)-2-[(2R,4R,5R,6R)-5-[(2R,3S,4R,5R,6R)-4-[(2R,3S,4S,5R,6R)-4-[(2S,3R,4R,5R,6S)-5-[(2R,3R,4R,5S,6R)-3-amino-5-[(2R,3R,4R,5S,6R)-3-amino-6-[[(2R,4R,5R,6R)-2-carboxy-6-[(1R)-1,2-dihydroxyethyl]-4-[(2S,3S,4S,5S,6R)-6-[(1S)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5-hydroxyoxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-carboxy-3,4-dihydroxyoxan-2-yl]oxy-6-[(1S)-2-[(2S,3S,4S,5S,6R)-6-[(1S)-2-[(2R,3R,4S,5R,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-1-hydroxyethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-1-hydroxyethyl]-3,5-dihydroxyoxan-2-yl]oxy-6-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-carboxy-6-[(1R)-1,2-dihydroxyethyl]-2-hydroxyoxan-4-yl]oxy-6-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxyoxane-2-carboxylic acid
CID 91855920

Frequently Asked Questions

What is the IUPAC name of (2R,4R,5R,6R)-2-[[(2R,3S,4R,5R,6R)-5-amino-6-[(2R,3S,4R,5S)-5-amino-2,3,4,6-tetrahydroxyhexoxy]-3,4-dihydroxyoxan-2-yl]methoxy]-5-[(2R,3S,4S,5S,6R)-5-[(2S,3S,4S,5R,6R)-3-[(2R,3R,4R,5R,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[(1R)-1,2-dihydroxyethyl]-4-hydroxyoxane-2-carboxylic acid?
The IUPAC name of (2R,4R,5R,6R)-2-[[(2R,3S,4R,5R,6R)-5-amino-6-[(2R,3S,4R,5S)-5-amino-2,3,4,6-tetrahydroxyhexoxy]-3,4-dihydroxyoxan-2-yl]methoxy]-5-[(2R,3S,4S,5S,6R)-5-[(2S,3S,4S,5R,6R)-3-[(2R,3R,4R,5R,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[(1R)-1,2-dihydroxyethyl]-4-hydroxyoxane-2-carboxylic acid (CID 91861217) is (2R,4R,5R,6R)-2-[[(2R,3S,4R,5R,6R)-5-amino-6-[(2R,3S,4R,5S)-5-amino-2,3,4,6-tetrahydroxyhexoxy]-3,4-dihydroxyoxan-2-yl]methoxy]-5-[(2R,3S,4S,5S,6R)-5-[(2S,3S,4S,5R,6R)-3-[(2R,3R,4R,5R,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[(1R)-1,2-dihydroxyethyl]-4-hydroxyoxane-2-carboxylic acid.
What is the SMILES notation for (2R,4R,5R,6R)-2-[[(2R,3S,4R,5R,6R)-5-amino-6-[(2R,3S,4R,5S)-5-amino-2,3,4,6-tetrahydroxyhexoxy]-3,4-dihydroxyoxan-2-yl]methoxy]-5-[(2R,3S,4S,5S,6R)-5-[(2S,3S,4S,5R,6R)-3-[(2R,3R,4R,5R,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[(1R)-1,2-dihydroxyethyl]-4-hydroxyoxane-2-carboxylic acid?
The canonical SMILES for (2R,4R,5R,6R)-2-[[(2R,3S,4R,5R,6R)-5-amino-6-[(2R,3S,4R,5S)-5-amino-2,3,4,6-tetrahydroxyhexoxy]-3,4-dihydroxyoxan-2-yl]methoxy]-5-[(2R,3S,4S,5S,6R)-5-[(2S,3S,4S,5R,6R)-3-[(2R,3R,4R,5R,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[(1R)-1,2-dihydroxyethyl]-4-hydroxyoxane-2-carboxylic acid is N[C@H]1[C@@H](O[C@@H]2[C@H](O[C@H]3[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O[C@H]4[C@@H]([C@H](O)CO)O[C@@](OC[C@H]5O[C@@H](OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](N)CO)[C@H](N)[C@@H](O)[C@@H]5O)(C(=O)O)C[C@H]4O)O[C@@H]3CO)O[C@H](CO)[C@@H](O)[C@@H]2O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@H](CO)[C@H](O)[C@@H]1O.
What is the InChIKey of (2R,4R,5R,6R)-2-[[(2R,3S,4R,5R,6R)-5-amino-6-[(2R,3S,4R,5S)-5-amino-2,3,4,6-tetrahydroxyhexoxy]-3,4-dihydroxyoxan-2-yl]methoxy]-5-[(2R,3S,4S,5S,6R)-5-[(2S,3S,4S,5R,6R)-3-[(2R,3R,4R,5R,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[(1R)-1,2-dihydroxyethyl]-4-hydroxyoxane-2-carboxylic acid?
The InChIKey is STXCABIMJHSTGO-XPNMMIHVSA-N. The full InChI is InChI=1S/C50H89N3O40/c51-11(2-54)23(64)24(65)14(63)9-80-43-21(52)30(71)28(69)20(87-43)10-81-50(49(78)79)1-12(61)37(38(93-50)13(62)3-55)88-47-41(91-46-35(76)33(74)27(68)17(6-58)84-46)36(77)39(19(8-60)86-47)89-48-42(92-44-22(53)31(72)25(66)15(4-56)82-44)40(29(70)18(7-59)85-48)90-45-34(75)32(73)26(67)16(5-57)83-45/h11-48,54-77H,1-10,51-53H2,(H,78,79)/t11-,12+,13+,14+,15+,16+,17+,18+,19+,20+,21+,22+,23+,24+,25-,26+,27+,28+,29+,30+,31+,32-,33-,34+,35+,36-,37+,38+,39+,40-,41-,42-,43+,44+,45+,46-,47+,48-,50+/m0/s1.
What are the key properties of (2R,4R,5R,6R)-2-[[(2R,3S,4R,5R,6R)-5-amino-6-[(2R,3S,4R,5S)-5-amino-2,3,4,6-tetrahydroxyhexoxy]-3,4-dihydroxyoxan-2-yl]methoxy]-5-[(2R,3S,4S,5S,6R)-5-[(2S,3S,4S,5R,6R)-3-[(2R,3R,4R,5R,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[(1R)-1,2-dihydroxyethyl]-4-hydroxyoxane-2-carboxylic acid?
(2R,4R,5R,6R)-2-[[(2R,3S,4R,5R,6R)-5-amino-6-[(2R,3S,4R,5S)-5-amino-2,3,4,6-tetrahydroxyhexoxy]-3,4-dihydroxyoxan-2-yl]methoxy]-5-[(2R,3S,4S,5S,6R)-5-[(2S,3S,4S,5R,6R)-3-[(2R,3R,4R,5R,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[(1R)-1,2-dihydroxyethyl]-4-hydroxyoxane-2-carboxylic acid has a molecular weight of 1372.24 g/mol, XLogP of -19.07, 28 rotatable bonds, 28 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R,5R,6R)-2-[[(2R,3S,4R,5R,6R)-5-amino-6-[(2R,3S,4R,5S)-5-amino-2,3,4,6-tetrahydroxyhexoxy]-3,4-dihydroxyoxan-2-yl]methoxy]-5-[(2R,3S,4S,5S,6R)-5-[(2S,3S,4S,5R,6R)-3-[(2R,3R,4R,5R,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[(1R)-1,2-dihydroxyethyl]-4-hydroxyoxane-2-carboxylic acid is sourced from PubChem (CID 91861217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).