(2R,3R,4R,5S)-2-[[(2S,3S,4R,5R)-4-[(2S,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-5-[(2S,3R,4S,5S)-4-[(2S,3R,4S,5S)-3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-hydroxy-5-(hydroxymethyl)oxolan-3-yl]oxy-3-hydroxyoxolan-2-yl]methoxy]-5-(hydroxymethyl)oxolane-3,4-diol

C31H52O26 — CID 176512455

IUPAC(2R,3R,4R,5S)-2-[[(2S,3S,4R,5R)-4-[(2S,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-5-[(2S,3R,4S,5S)-4-[(2S,3R,4S,5S)-3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-hydroxy-5-(hydroxymethyl)oxolan-3-yl]oxy-3-hydroxyoxolan-2-yl]methoxy]-5-(hydroxymethyl)oxolane-3,4-diol
SMILESOC[C@@H](O)[C@@H]1O[C@@H](O[C@H]2[C@@H](O[C@@H]3[C@@H](O[C@@H]4O[C@@H](CO)[C@H](O)[C@H]4O[C@@H]4O[C@@H](CO)[C@H](O)[C@H]4O)[C@H](CO)O[C@@H]3O)O[C@@H](CO[C@@H]3O[C@@H](CO)[C@H](O)[C@H]3O)[C@@H]2O)[C@H](O)[C@H]1O
InChIInChI=1S/C31H52O26/c32-1-7(37)21-17(42)20(45)29(53-21)56-24-16(41)12(6-47-27-18(43)13(38)8(2-33)49-27)52-31(24)57-25-22(11(5-36)48-26(25)46)54-30-23(15(40)10(4-35)51-30)55-28-19(44)14(39)9(3-34)50-28/h7-46H,1-6H2/t7-,8+,9+,10+,11+,12+,13+,14+,15+,16+,17-,18-,19-,20-,21+,22+,23-,24-,25-,26+,27-,28+,29+,30+,31-/m1/s1
InChIKeyZKNIOCDXIWUDEE-ZBYOSECSSA-N
MW840.73 g/mol
LogP-10.90
Rot. Bonds17

About (2R,3R,4R,5S)-2-[[(2S,3S,4R,5R)-4-[(2S,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-5-[(2S,3R,4S,5S)-4-[(2S,3R,4S,5S)-3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-hydroxy-5-(hydroxymethyl)oxolan-3-yl]oxy-3-hydroxyoxolan-2-yl]methoxy]-5-(hydroxymethyl)oxolane-3,4-diol

(2R,3R,4R,5S)-2-[[(2S,3S,4R,5R)-4-[(2S,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-5-[(2S,3R,4S,5S)-4-[(2S,3R,4S,5S)-3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-hydroxy-5-(hydroxymethyl)oxolan-3-yl]oxy-3-hydroxyoxolan-2-yl]methoxy]-5-(hydroxymethyl)oxolane-3,4-diol (PubChem CID 176512455) has the molecular formula C31H52O26 and a molecular weight of 840.73 g/mol. Its IUPAC name is (2R,3R,4R,5S)-2-[[(2S,3S,4R,5R)-4-[(2S,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-5-[(2S,3R,4S,5S)-4-[(2S,3R,4S,5S)-3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-hydroxy-5-(hydroxymethyl)oxolan-3-yl]oxy-3-hydroxyoxolan-2-yl]methoxy]-5-(hydroxymethyl)oxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4R,5S)-2-[[(2S,3S,4R,5R)-4-[(2S,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-5-[(2S,3R,4S,5S)-4-[(2S,3R,4S,5S)-3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-hydroxy-5-(hydroxymethyl)oxolan-3-yl]oxy-3-hydroxyoxolan-2-yl]methoxy]-5-(hydroxymethyl)oxolane-3,4-diol
PubChem CID176512455
Molecular FormulaC31H52O26
Molecular Weight840.73 g/mol
Exact Mass840.27
IUPAC Name(2R,3R,4R,5S)-2-[[(2S,3S,4R,5R)-4-[(2S,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-5-[(2S,3R,4S,5S)-4-[(2S,3R,4S,5S)-3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-hydroxy-5-(hydroxymethyl)oxolan-3-yl]oxy-3-hydroxyoxolan-2-yl]methoxy]-5-(hydroxymethyl)oxolane-3,4-diol
SMILESOC[C@@H](O)[C@@H]1O[C@@H](O[C@H]2[C@@H](O[C@@H]3[C@@H](O[C@@H]4O[C@@H](CO)[C@H](O)[C@H]4O[C@@H]4O[C@@H](CO)[C@H](O)[C@H]4O)[C@H](CO)O[C@@H]3O)O[C@@H](CO[C@@H]3O[C@@H](CO)[C@H](O)[C@H]3O)[C@@H]2O)[C@H](O)[C@H]1O
InChIInChI=1S/C31H52O26/c32-1-7(37)21-17(42)20(45)29(53-21)56-24-16(41)12(6-47-27-18(43)13(38)8(2-33)49-27)52-31(24)57-25-22(11(5-36)48-26(25)46)54-30-23(15(40)10(4-35)51-30)55-28-19(44)14(39)9(3-34)50-28/h7-46H,1-6H2/t7-,8+,9+,10+,11+,12+,13+,14+,15+,16+,17-,18-,19-,20-,21+,22+,23-,24-,25-,26+,27-,28+,29+,30+,31-/m1/s1
InChIKeyZKNIOCDXIWUDEE-ZBYOSECSSA-N
XLogP-10.90
TPSA404.98 Ų
H-Bond Donors15
H-Bond Acceptors26
Rotatable Bonds17
Heavy Atoms57
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500840.73
LogP ≤ 5-10.90
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1026

Analyze (2R,3R,4R,5S)-2-[[(2S,3S,4R,5R)-4-[(2S,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-5-[(2S,3R,4S,5S)-4-[(2S,3R,4S,5S)-3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-hydroxy-5-(hydroxymethyl)oxolan-3-yl]oxy-3-hydroxyoxolan-2-yl]methoxy]-5-(hydroxymethyl)oxolane-3,4-diol with MolForge

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Related Compounds

(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
(2S,3R,4S,5S,6R)-6-[[(2S,3S,4S,5S,6R)-6-[(1S)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol
CID 91847258
(2S,3R,4R,5S)-2-[(2S,3S,4R,5R)-4-[(2R,3R,4S,5S)-3-[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-5-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-5-(hydroxymethyl)oxolane-3,4-diol
CID 176512407
(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
(2S,3R,4R,5R,6R)-5-[(2S,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,4-triol
CID 91853001
(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
(2S,3R,4S,5R,6R)-2-[[(2R,3R,4S,5R,6R)-6-[(2R,3S,4R,5R)-5-[[(2S,3S,4S,5S,6R)-6-[[(2S,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]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxymethyl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-3,4-dihydroxy-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 91861178
(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
(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2S,3S,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-yl]oxyoxan-2-yl]methoxy]oxane-3,4,5-triol
CID 132500736
(3R,4S,5S,6R)-6-(hydroxymethyl)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxane-2,4,5-triol
CID 91854555
(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3R,4S,5R,6R)-3,4,6-trihydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]oxane-3,4,5-triol
CID 91862592
6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxane-2,4,5-triol
CID 131752709

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S)-2-[[(2S,3S,4R,5R)-4-[(2S,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-5-[(2S,3R,4S,5S)-4-[(2S,3R,4S,5S)-3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-hydroxy-5-(hydroxymethyl)oxolan-3-yl]oxy-3-hydroxyoxolan-2-yl]methoxy]-5-(hydroxymethyl)oxolane-3,4-diol?
The IUPAC name of (2R,3R,4R,5S)-2-[[(2S,3S,4R,5R)-4-[(2S,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-5-[(2S,3R,4S,5S)-4-[(2S,3R,4S,5S)-3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-hydroxy-5-(hydroxymethyl)oxolan-3-yl]oxy-3-hydroxyoxolan-2-yl]methoxy]-5-(hydroxymethyl)oxolane-3,4-diol (CID 176512455) is (2R,3R,4R,5S)-2-[[(2S,3S,4R,5R)-4-[(2S,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-5-[(2S,3R,4S,5S)-4-[(2S,3R,4S,5S)-3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-hydroxy-5-(hydroxymethyl)oxolan-3-yl]oxy-3-hydroxyoxolan-2-yl]methoxy]-5-(hydroxymethyl)oxolane-3,4-diol.
What is the SMILES notation for (2R,3R,4R,5S)-2-[[(2S,3S,4R,5R)-4-[(2S,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-5-[(2S,3R,4S,5S)-4-[(2S,3R,4S,5S)-3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-hydroxy-5-(hydroxymethyl)oxolan-3-yl]oxy-3-hydroxyoxolan-2-yl]methoxy]-5-(hydroxymethyl)oxolane-3,4-diol?
The canonical SMILES for (2R,3R,4R,5S)-2-[[(2S,3S,4R,5R)-4-[(2S,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-5-[(2S,3R,4S,5S)-4-[(2S,3R,4S,5S)-3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-hydroxy-5-(hydroxymethyl)oxolan-3-yl]oxy-3-hydroxyoxolan-2-yl]methoxy]-5-(hydroxymethyl)oxolane-3,4-diol is OC[C@@H](O)[C@@H]1O[C@@H](O[C@H]2[C@@H](O[C@@H]3[C@@H](O[C@@H]4O[C@@H](CO)[C@H](O)[C@H]4O[C@@H]4O[C@@H](CO)[C@H](O)[C@H]4O)[C@H](CO)O[C@@H]3O)O[C@@H](CO[C@@H]3O[C@@H](CO)[C@H](O)[C@H]3O)[C@@H]2O)[C@H](O)[C@H]1O.
What is the InChIKey of (2R,3R,4R,5S)-2-[[(2S,3S,4R,5R)-4-[(2S,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-5-[(2S,3R,4S,5S)-4-[(2S,3R,4S,5S)-3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-hydroxy-5-(hydroxymethyl)oxolan-3-yl]oxy-3-hydroxyoxolan-2-yl]methoxy]-5-(hydroxymethyl)oxolane-3,4-diol?
The InChIKey is ZKNIOCDXIWUDEE-ZBYOSECSSA-N. The full InChI is InChI=1S/C31H52O26/c32-1-7(37)21-17(42)20(45)29(53-21)56-24-16(41)12(6-47-27-18(43)13(38)8(2-33)49-27)52-31(24)57-25-22(11(5-36)48-26(25)46)54-30-23(15(40)10(4-35)51-30)55-28-19(44)14(39)9(3-34)50-28/h7-46H,1-6H2/t7-,8+,9+,10+,11+,12+,13+,14+,15+,16+,17-,18-,19-,20-,21+,22+,23-,24-,25-,26+,27-,28+,29+,30+,31-/m1/s1.
What are the key properties of (2R,3R,4R,5S)-2-[[(2S,3S,4R,5R)-4-[(2S,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-5-[(2S,3R,4S,5S)-4-[(2S,3R,4S,5S)-3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-hydroxy-5-(hydroxymethyl)oxolan-3-yl]oxy-3-hydroxyoxolan-2-yl]methoxy]-5-(hydroxymethyl)oxolane-3,4-diol?
(2R,3R,4R,5S)-2-[[(2S,3S,4R,5R)-4-[(2S,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-5-[(2S,3R,4S,5S)-4-[(2S,3R,4S,5S)-3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-hydroxy-5-(hydroxymethyl)oxolan-3-yl]oxy-3-hydroxyoxolan-2-yl]methoxy]-5-(hydroxymethyl)oxolane-3,4-diol has a molecular weight of 840.73 g/mol, XLogP of -10.90, 17 rotatable bonds, 15 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S)-2-[[(2S,3S,4R,5R)-4-[(2S,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-5-[(2S,3R,4S,5S)-4-[(2S,3R,4S,5S)-3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-hydroxy-5-(hydroxymethyl)oxolan-3-yl]oxy-3-hydroxyoxolan-2-yl]methoxy]-5-(hydroxymethyl)oxolane-3,4-diol is sourced from PubChem (CID 176512455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).