3-[(2R,3S,4S,5R)-3-[(2S,3S,4R,5S,6R)-4-[(2R,3S,4S,5S,6S)-3-[(2R,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-6-[(1S)-1-[(2S,3S,4S,5S,6R)-6-[(1S)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2-hydroxyethyl]-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-6-[(1S)-2-hydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-hydroxypropanoic acid

C54H93NO45 — CID 155926107

IUPAC3-[(2R,3S,4S,5R)-3-[(2S,3S,4R,5S,6R)-4-[(2R,3S,4S,5S,6S)-3-[(2R,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-6-[(1S)-1-[(2S,3S,4S,5S,6R)-6-[(1S)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2-hydroxyethyl]-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-6-[(1S)-2-hydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-hydroxypropanoic acid
SMILESN[C@H]1[C@@H](OC[C@H](O)[C@H]2O[C@H](O[C@@H]3[C@@H](O[C@@H]4[C@H](O)[C@@H](O[C@H]5[C@@H](O)[C@@H](CO)O[C@@H]5CC(O)C(=O)O)O[C@H]([C@H](CO)O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)C4O)O[C@H]([C@H](CO)O[C@H]4O[C@H]([C@@H](O)CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H](O)[C@@H]3O)[C@@H](O)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C54H93NO45/c55-20-25(70)21(66)14(3-57)88-48(20)86-9-12(65)40-31(76)29(74)37(82)52(94-40)99-45-33(78)32(77)42(18(7-61)91-51-36(81)28(73)30(75)39(93-51)11(64)2-56)96-54(45)98-44-38(83)53(95-41-13(1-10(63)47(84)85)87-17(6-60)24(41)69)97-43(46(44)100-50-35(80)27(72)23(68)16(5-59)90-50)19(8-62)92-49-34(79)26(71)22(67)15(4-58)89-49/h10-46,48-54,56-83H,1-9,55H2,(H,84,85)/t10?,11-,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+,48-,49+,50-,51-,52+,53-,54+/m0/s1
InChIKeyAOSAZCUTSIYMHK-ARHFJFNUSA-N
MW1476.30 g/mol
LogP-20.52
Rot. Bonds29

About 3-[(2R,3S,4S,5R)-3-[(2S,3S,4R,5S,6R)-4-[(2R,3S,4S,5S,6S)-3-[(2R,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-6-[(1S)-1-[(2S,3S,4S,5S,6R)-6-[(1S)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2-hydroxyethyl]-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-6-[(1S)-2-hydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-hydroxypropanoic acid

3-[(2R,3S,4S,5R)-3-[(2S,3S,4R,5S,6R)-4-[(2R,3S,4S,5S,6S)-3-[(2R,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-6-[(1S)-1-[(2S,3S,4S,5S,6R)-6-[(1S)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2-hydroxyethyl]-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-6-[(1S)-2-hydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-hydroxypropanoic acid (PubChem CID 155926107) has the molecular formula C54H93NO45 and a molecular weight of 1476.30 g/mol. Its IUPAC name is 3-[(2R,3S,4S,5R)-3-[(2S,3S,4R,5S,6R)-4-[(2R,3S,4S,5S,6S)-3-[(2R,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-6-[(1S)-1-[(2S,3S,4S,5S,6R)-6-[(1S)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2-hydroxyethyl]-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-6-[(1S)-2-hydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-hydroxypropanoic acid.

Molecular Properties

Compound Name3-[(2R,3S,4S,5R)-3-[(2S,3S,4R,5S,6R)-4-[(2R,3S,4S,5S,6S)-3-[(2R,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-6-[(1S)-1-[(2S,3S,4S,5S,6R)-6-[(1S)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2-hydroxyethyl]-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-6-[(1S)-2-hydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-hydroxypropanoic acid
PubChem CID155926107
Molecular FormulaC54H93NO45
Molecular Weight1476.30 g/mol
Exact Mass1475.50
IUPAC Name3-[(2R,3S,4S,5R)-3-[(2S,3S,4R,5S,6R)-4-[(2R,3S,4S,5S,6S)-3-[(2R,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-6-[(1S)-1-[(2S,3S,4S,5S,6R)-6-[(1S)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2-hydroxyethyl]-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-6-[(1S)-2-hydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-hydroxypropanoic acid
SMILESN[C@H]1[C@@H](OC[C@H](O)[C@H]2O[C@H](O[C@@H]3[C@@H](O[C@@H]4[C@H](O)[C@@H](O[C@H]5[C@@H](O)[C@@H](CO)O[C@@H]5CC(O)C(=O)O)O[C@H]([C@H](CO)O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)C4O)O[C@H]([C@H](CO)O[C@H]4O[C@H]([C@@H](O)CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H](O)[C@@H]3O)[C@@H](O)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C54H93NO45/c55-20-25(70)21(66)14(3-57)88-48(20)86-9-12(65)40-31(76)29(74)37(82)52(94-40)99-45-33(78)32(77)42(18(7-61)91-51-36(81)28(73)30(75)39(93-51)11(64)2-56)96-54(45)98-44-38(83)53(95-41-13(1-10(63)47(84)85)87-17(6-60)24(41)69)97-43(46(44)100-50-35(80)27(72)23(68)16(5-59)90-50)19(8-62)92-49-34(79)26(71)22(67)15(4-58)89-49/h10-46,48-54,56-83H,1-9,55H2,(H,84,85)/t10?,11-,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+,48-,49+,50-,51-,52+,53-,54+/m0/s1
InChIKeyAOSAZCUTSIYMHK-ARHFJFNUSA-N
XLogP-20.52
TPSA768.21 Ų
H-Bond Donors30
H-Bond Acceptors45
Rotatable Bonds29
Heavy Atoms100
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001476.30
LogP ≤ 5-20.52
H-Bond Donors ≤ 530
H-Bond Acceptors ≤ 1045

Analyze 3-[(2R,3S,4S,5R)-3-[(2S,3S,4R,5S,6R)-4-[(2R,3S,4S,5S,6S)-3-[(2R,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-6-[(1S)-1-[(2S,3S,4S,5S,6R)-6-[(1S)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2-hydroxyethyl]-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-6-[(1S)-2-hydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-hydroxypropanoic acid with MolForge

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Launch Full Analysis

Related Compounds

(2R,4R,5S,6R)-5-[(2R,3S,4R,5S,6R)-4-[(2R,3S,4S,5S,6R)-3-[(2R,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-6-[(1S)-1,2-dihydroxyethyl]-4,5-dihydroxyoxan-2-yl]oxy-6-[(1S)-1-[(2S,3S,4S,5S,6R)-6-[(1S)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2-hydroxyethyl]-5-[(2S,3R,4S,5S,6R)-6-[[(2S,3S,4R,5S,6R)-6-[(1R)-1-[(2S,3S,4S,5S,6R)-6-[(1R)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2-hydroxyethyl]-3,4-dihydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-3-hydroxyoxan-2-yl]oxy-6-[(1R)-1,2-dihydroxyethyl]-2-hydroxy-4-phosphonooxyoxane-2-carboxylic acid
CID 91857139
(2R,3R,4S,5R,6S)-6-[[(2R,3S,4R,5R,6S)-5-amino-6-[(2S,3R,4S,5S,6R)-2-(2,3-dihydroxypropoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4-dihydroxyoxan-2-yl]methoxy]-5-[(2S,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol
CID 91857413
N-[(2R,3S,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5S,6R)-2-[(2S,3S,4S,5S,6R)-6-[(1S)-1,2-dihydroxyethyl]-2,4,5-trihydroxyoxan-3-yl]oxy-3-hydroxy-6-[(1S)-2-hydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl]acetamide
CID 91851193
(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]-3,4-dihydroxyoxan-2-yl]methoxy]-2-carboxy-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-[(2S,4R,5R,6S)-2-carboxy-4-[(2S,3S,4S,5S,6R)-6-[(1S)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5-hydroxy-6-[(1R)-2-hydroxy-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)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-6-[(1R)-1,2-dihydroxyethyl]oxan-4-yl]oxy-6-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxyoxane-2-carboxylic acid
CID 91853629
(2R,3R,4R,5R)-5-[(1R)-1-[(2R,3R,4R,5R)-5-[(1R)-1-[(2R,3R,4R,5R)-5-[(1R)-1-[(2R,3R,4R,5R)-5-[(1R)-1-[(2R,3R,4R,5R)-5-[(1R)-1-[(2R,3R,4R,5R)-5-[(1R)-1-[(2R,3R,4R,5R)-5-[(1R)-1-[(2R,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-2-hydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-2-hydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-2-hydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-2-[(2R,3R,4R,5S)-5-[(1R)-2-[(2R,3R,4R,5S)-5-[(1R)-2-[(2R,3R,4R,5S)-5-[(1R)-2-[(2R,3R,4R,5S)-5-[(1R)-2-[(2R,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-1-hydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-1-hydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-1-hydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-1-hydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-2-hydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-2-hydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-2-hydroxyethyl]oxolane-2,3,4-triol
CID 91859722
(2S,3S,4S,5S,6R)-3-[(2R,3S,4S,5R,6R)-4-[(2R,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-3-[(2R,3S,4S,5S,6R)-3-[(2R,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,4,5-triol
CID 171125381
(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,3S,4S,5S,6S)-2-[(1S)-2-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-hydroxyethyl]-6-methoxyoxane-3,4,5-triol
CID 163186603
(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
(1S,2S,4S,5R)-6-[(2R,3R,4R,5S,6R)-3-amino-5-[(2R,3S,4S,5R,6R)-4-[(2R,3S,4S,5R,6R)-4-[(2R,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3-hydroxy-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxolan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexane-1,2,3,4,5-pentol
CID 52921663
N-[(2R,3R,4R,5S,6R)-2-[[(2R,3S,4S,5R,6R)-6-[(2R,3R,4S,5S,6R)-2-[(2R,3R,4S,5R,6R)-2-[(2R,3S,4S,5R,6R)-2-[(2R,3R,4S,5S,6S)-2-[(1S)-1,2-dihydroxyethyl]-3,5,6-trihydroxyoxan-4-yl]oxy-6-[(1S)-2-[(2S,3S,4S,5S,6R)-6-[(1S)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-1-hydroxyethyl]-3,5-dihydroxyoxan-4-yl]oxy-3,5-dihydroxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 91858963
(3R,4R,5R)-5-[(1R)-1-[(2R,3R,4R,5R)-5-[(1R)-1-[(2R,3R,4R,5R)-5-[(1R)-1-[(2R,3R,4R,5R)-5-[(1R)-1-[(2R,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-2-hydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-2-hydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-2-hydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-2-hydroxyethyl]oxolane-2,3,4-triol
CID 91859642

Frequently Asked Questions

What is the IUPAC name of 3-[(2R,3S,4S,5R)-3-[(2S,3S,4R,5S,6R)-4-[(2R,3S,4S,5S,6S)-3-[(2R,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-6-[(1S)-1-[(2S,3S,4S,5S,6R)-6-[(1S)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2-hydroxyethyl]-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-6-[(1S)-2-hydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-hydroxypropanoic acid?
The IUPAC name of 3-[(2R,3S,4S,5R)-3-[(2S,3S,4R,5S,6R)-4-[(2R,3S,4S,5S,6S)-3-[(2R,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-6-[(1S)-1-[(2S,3S,4S,5S,6R)-6-[(1S)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2-hydroxyethyl]-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-6-[(1S)-2-hydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-hydroxypropanoic acid (CID 155926107) is 3-[(2R,3S,4S,5R)-3-[(2S,3S,4R,5S,6R)-4-[(2R,3S,4S,5S,6S)-3-[(2R,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-6-[(1S)-1-[(2S,3S,4S,5S,6R)-6-[(1S)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2-hydroxyethyl]-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-6-[(1S)-2-hydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-hydroxypropanoic acid.
What is the SMILES notation for 3-[(2R,3S,4S,5R)-3-[(2S,3S,4R,5S,6R)-4-[(2R,3S,4S,5S,6S)-3-[(2R,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-6-[(1S)-1-[(2S,3S,4S,5S,6R)-6-[(1S)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2-hydroxyethyl]-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-6-[(1S)-2-hydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-hydroxypropanoic acid?
The canonical SMILES for 3-[(2R,3S,4S,5R)-3-[(2S,3S,4R,5S,6R)-4-[(2R,3S,4S,5S,6S)-3-[(2R,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-6-[(1S)-1-[(2S,3S,4S,5S,6R)-6-[(1S)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2-hydroxyethyl]-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-6-[(1S)-2-hydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-hydroxypropanoic acid is N[C@H]1[C@@H](OC[C@H](O)[C@H]2O[C@H](O[C@@H]3[C@@H](O[C@@H]4[C@H](O)[C@@H](O[C@H]5[C@@H](O)[C@@H](CO)O[C@@H]5CC(O)C(=O)O)O[C@H]([C@H](CO)O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)C4O)O[C@H]([C@H](CO)O[C@H]4O[C@H]([C@@H](O)CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H](O)[C@@H]3O)[C@@H](O)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O.
What is the InChIKey of 3-[(2R,3S,4S,5R)-3-[(2S,3S,4R,5S,6R)-4-[(2R,3S,4S,5S,6S)-3-[(2R,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-6-[(1S)-1-[(2S,3S,4S,5S,6R)-6-[(1S)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2-hydroxyethyl]-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-6-[(1S)-2-hydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-hydroxypropanoic acid?
The InChIKey is AOSAZCUTSIYMHK-ARHFJFNUSA-N. The full InChI is InChI=1S/C54H93NO45/c55-20-25(70)21(66)14(3-57)88-48(20)86-9-12(65)40-31(76)29(74)37(82)52(94-40)99-45-33(78)32(77)42(18(7-61)91-51-36(81)28(73)30(75)39(93-51)11(64)2-56)96-54(45)98-44-38(83)53(95-41-13(1-10(63)47(84)85)87-17(6-60)24(41)69)97-43(46(44)100-50-35(80)27(72)23(68)16(5-59)90-50)19(8-62)92-49-34(79)26(71)22(67)15(4-58)89-49/h10-46,48-54,56-83H,1-9,55H2,(H,84,85)/t10?,11-,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+,48-,49+,50-,51-,52+,53-,54+/m0/s1.
What are the key properties of 3-[(2R,3S,4S,5R)-3-[(2S,3S,4R,5S,6R)-4-[(2R,3S,4S,5S,6S)-3-[(2R,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-6-[(1S)-1-[(2S,3S,4S,5S,6R)-6-[(1S)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2-hydroxyethyl]-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-6-[(1S)-2-hydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-hydroxypropanoic acid?
3-[(2R,3S,4S,5R)-3-[(2S,3S,4R,5S,6R)-4-[(2R,3S,4S,5S,6S)-3-[(2R,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-6-[(1S)-1-[(2S,3S,4S,5S,6R)-6-[(1S)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2-hydroxyethyl]-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-6-[(1S)-2-hydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-hydroxypropanoic acid has a molecular weight of 1476.30 g/mol, XLogP of -20.52, 29 rotatable bonds, 30 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R,3S,4S,5R)-3-[(2S,3S,4R,5S,6R)-4-[(2R,3S,4S,5S,6S)-3-[(2R,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-6-[(1S)-1-[(2S,3S,4S,5S,6R)-6-[(1S)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2-hydroxyethyl]-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-6-[(1S)-2-hydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-hydroxypropanoic acid is sourced from PubChem (CID 155926107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).