(2S,3S,4S,5R)-5-[[(2S,3S,4R,5R)-3-[(2R,3S,4S,5R)-4-[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-5-[[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-4-hydroxyoxolan-2-yl]oxymethyl]oxolane-2,3,4-triol

C25H42O21 — CID 171125966

IUPAC(2S,3S,4S,5R)-5-[[(2S,3S,4R,5R)-3-[(2R,3S,4S,5R)-4-[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-5-[[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-4-hydroxyoxolan-2-yl]oxymethyl]oxolane-2,3,4-triol
SMILESOC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O[C@@H]3[C@@H](OC[C@H]4O[C@H](O)[C@@H](O)[C@@H]4O)O[C@H](CO[C@H]4O[C@H](CO)[C@@H](O)[C@@H]4O)[C@H]3O)O[C@@H]2CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C25H42O21/c26-1-6-11(29)16(34)22(41-6)38-5-10-14(32)20(25(44-10)39-4-9-13(31)15(33)21(37)40-9)46-24-18(36)19(8(3-28)43-24)45-23-17(35)12(30)7(2-27)42-23/h6-37H,1-5H2/t6-,7-,8-,9-,10-,11-,12-,13-,14-,15+,16+,17+,18+,19-,20+,21+,22+,23+,24-,25+/m1/s1
InChIKeyCRVSOOJZCZSBID-ALBVROQBSA-N
MW678.59 g/mol
LogP-8.73
Rot. Bonds13

About (2S,3S,4S,5R)-5-[[(2S,3S,4R,5R)-3-[(2R,3S,4S,5R)-4-[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-5-[[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-4-hydroxyoxolan-2-yl]oxymethyl]oxolane-2,3,4-triol

(2S,3S,4S,5R)-5-[[(2S,3S,4R,5R)-3-[(2R,3S,4S,5R)-4-[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-5-[[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-4-hydroxyoxolan-2-yl]oxymethyl]oxolane-2,3,4-triol (PubChem CID 171125966) has the molecular formula C25H42O21 and a molecular weight of 678.59 g/mol. Its IUPAC name is (2S,3S,4S,5R)-5-[[(2S,3S,4R,5R)-3-[(2R,3S,4S,5R)-4-[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-5-[[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-4-hydroxyoxolan-2-yl]oxymethyl]oxolane-2,3,4-triol.

Molecular Properties

Compound Name(2S,3S,4S,5R)-5-[[(2S,3S,4R,5R)-3-[(2R,3S,4S,5R)-4-[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-5-[[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-4-hydroxyoxolan-2-yl]oxymethyl]oxolane-2,3,4-triol
PubChem CID171125966
Molecular FormulaC25H42O21
Molecular Weight678.59 g/mol
Exact Mass678.22
IUPAC Name(2S,3S,4S,5R)-5-[[(2S,3S,4R,5R)-3-[(2R,3S,4S,5R)-4-[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-5-[[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-4-hydroxyoxolan-2-yl]oxymethyl]oxolane-2,3,4-triol
SMILESOC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O[C@@H]3[C@@H](OC[C@H]4O[C@H](O)[C@@H](O)[C@@H]4O)O[C@H](CO[C@H]4O[C@H](CO)[C@@H](O)[C@@H]4O)[C@H]3O)O[C@@H]2CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C25H42O21/c26-1-6-11(29)16(34)22(41-6)38-5-10-14(32)20(25(44-10)39-4-9-13(31)15(33)21(37)40-9)46-24-18(36)19(8(3-28)43-24)45-23-17(35)12(30)7(2-27)42-23/h6-37H,1-5H2/t6-,7-,8-,9-,10-,11-,12-,13-,14-,15+,16+,17+,18+,19-,20+,21+,22+,23+,24-,25+/m1/s1
InChIKeyCRVSOOJZCZSBID-ALBVROQBSA-N
XLogP-8.73
TPSA325.83 Ų
H-Bond Donors12
H-Bond Acceptors21
Rotatable Bonds13
Heavy Atoms46
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500678.59
LogP ≤ 5-8.73
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1021

Analyze (2S,3S,4S,5R)-5-[[(2S,3S,4R,5R)-3-[(2R,3S,4S,5R)-4-[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-5-[[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-4-hydroxyoxolan-2-yl]oxymethyl]oxolane-2,3,4-triol with MolForge

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Related Compounds

(2S,3R,4S,5R,6R)-2-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[(2R,3S,4R,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-2-yl]methoxy]oxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 71554735
(2S,3S,4S,5R)-5-[[(2S,3S,4S,5R)-4-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-5-[[(2S,3S,4S,5R)-4-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3-hydroxyoxolan-2-yl]oxymethyl]oxolane-2,3,4-triol
CID 171122578
(2S,3S,4S,5S,6R)-6-[[(2S,3S,4S,5S,6R)-6-[[(2S,3S,4S,5R,6R)-4-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-6-[[(2S,3S,4S,5S,6R)-3-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[[(2S,3S,4S,5R,6R)-4-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3-[(2R,3S,4S,5S,6R)-3-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-6-[[(2S,3S,4S,5R,6R)-4-[(2R,3S,4S,5S,6R)-3-[(2R,3S,4S,5S,6R)-3-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3-[(2R,3S,4S,5S,6R)-3-[(2R,3S,4S,5S,6R)-3-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxymethyl]-4,5-dihydroxy-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol
CID 91845714
(2R,3R,4S,5R,6R)-6-[[(2R,3R,4R,5R,6R)-5-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol
CID 162916787
(3R,4S,5S,6R)-6-[[(2S,3R,4S,5S,6R)-6-[[(2S,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]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol
CID 91858991
(2S,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R,6R)-6-[(2R,3S,4R,5R,6R)-6-[(2R,3S,4R,5R,6S)-6-[[(2R,3S,4S,5R,6R)-6-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 91825602
(3R,4S,5R,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol
CID 11134932
(2R,3R,4S,5R,6R)-2-[[(2R,3S,4S,5R,6R)-6-[(2R,3S,4R,5R,6R)-6-[(2R,3S,4R,5R,6R)-6-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 91853304
(2R,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol
CID 91856581
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-2-yl]methoxy]oxane-3,4,5-triol
CID 10973188
(2S,3R,4S,5R,6R)-2-[[(2R,3S,4S,5S,6S)-6-[(2R,3S,4R,5S,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 91850547
(3R,4R,5S)-5-[[(2S,3S,4S,5R)-4-[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-5-[[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3-hydroxyoxolan-2-yl]oxymethyl]oxolane-2,3,4-triol
CID 177465903

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S,5R)-5-[[(2S,3S,4R,5R)-3-[(2R,3S,4S,5R)-4-[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-5-[[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-4-hydroxyoxolan-2-yl]oxymethyl]oxolane-2,3,4-triol?
The IUPAC name of (2S,3S,4S,5R)-5-[[(2S,3S,4R,5R)-3-[(2R,3S,4S,5R)-4-[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-5-[[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-4-hydroxyoxolan-2-yl]oxymethyl]oxolane-2,3,4-triol (CID 171125966) is (2S,3S,4S,5R)-5-[[(2S,3S,4R,5R)-3-[(2R,3S,4S,5R)-4-[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-5-[[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-4-hydroxyoxolan-2-yl]oxymethyl]oxolane-2,3,4-triol.
What is the SMILES notation for (2S,3S,4S,5R)-5-[[(2S,3S,4R,5R)-3-[(2R,3S,4S,5R)-4-[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-5-[[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-4-hydroxyoxolan-2-yl]oxymethyl]oxolane-2,3,4-triol?
The canonical SMILES for (2S,3S,4S,5R)-5-[[(2S,3S,4R,5R)-3-[(2R,3S,4S,5R)-4-[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-5-[[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-4-hydroxyoxolan-2-yl]oxymethyl]oxolane-2,3,4-triol is OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O[C@@H]3[C@@H](OC[C@H]4O[C@H](O)[C@@H](O)[C@@H]4O)O[C@H](CO[C@H]4O[C@H](CO)[C@@H](O)[C@@H]4O)[C@H]3O)O[C@@H]2CO)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2S,3S,4S,5R)-5-[[(2S,3S,4R,5R)-3-[(2R,3S,4S,5R)-4-[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-5-[[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-4-hydroxyoxolan-2-yl]oxymethyl]oxolane-2,3,4-triol?
The InChIKey is CRVSOOJZCZSBID-ALBVROQBSA-N. The full InChI is InChI=1S/C25H42O21/c26-1-6-11(29)16(34)22(41-6)38-5-10-14(32)20(25(44-10)39-4-9-13(31)15(33)21(37)40-9)46-24-18(36)19(8(3-28)43-24)45-23-17(35)12(30)7(2-27)42-23/h6-37H,1-5H2/t6-,7-,8-,9-,10-,11-,12-,13-,14-,15+,16+,17+,18+,19-,20+,21+,22+,23+,24-,25+/m1/s1.
What are the key properties of (2S,3S,4S,5R)-5-[[(2S,3S,4R,5R)-3-[(2R,3S,4S,5R)-4-[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-5-[[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-4-hydroxyoxolan-2-yl]oxymethyl]oxolane-2,3,4-triol?
(2S,3S,4S,5R)-5-[[(2S,3S,4R,5R)-3-[(2R,3S,4S,5R)-4-[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-5-[[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-4-hydroxyoxolan-2-yl]oxymethyl]oxolane-2,3,4-triol has a molecular weight of 678.59 g/mol, XLogP of -8.73, 13 rotatable bonds, 12 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S,5R)-5-[[(2S,3S,4R,5R)-3-[(2R,3S,4S,5R)-4-[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-5-[[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-4-hydroxyoxolan-2-yl]oxymethyl]oxolane-2,3,4-triol is sourced from PubChem (CID 171125966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).