(2R,3R,4R,5S)-5-[(1S)-2-[(2R,3R,4R,5S)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-1-hydroxyethyl]oxolane-2,3,4-triol

C12H22O11 — CID 10569286

IUPAC(2R,3R,4R,5S)-5-[(1S)-2-[(2R,3R,4R,5S)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-1-hydroxyethyl]oxolane-2,3,4-triol
SMILESOC[C@H](O)[C@@H]1O[C@@H](OC[C@H](O)[C@@H]2O[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O
InChIInChI=1S/C12H22O11/c13-1-3(14)9-6(17)8(19)12(23-9)21-2-4(15)10-5(16)7(18)11(20)22-10/h3-20H,1-2H2/t3-,4-,5+,6+,7+,8+,9-,10-,11+,12+/m0/s1
InChIKeyBFMJDJNGFYKYIF-LMSLPLBKSA-N
MW342.30 g/mol
LogP-5.40
Rot. Bonds6

About (2R,3R,4R,5S)-5-[(1S)-2-[(2R,3R,4R,5S)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-1-hydroxyethyl]oxolane-2,3,4-triol

(2R,3R,4R,5S)-5-[(1S)-2-[(2R,3R,4R,5S)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-1-hydroxyethyl]oxolane-2,3,4-triol (PubChem CID 10569286) has the molecular formula C12H22O11 and a molecular weight of 342.30 g/mol. Its IUPAC name is (2R,3R,4R,5S)-5-[(1S)-2-[(2R,3R,4R,5S)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-1-hydroxyethyl]oxolane-2,3,4-triol.

Molecular Properties

Compound Name(2R,3R,4R,5S)-5-[(1S)-2-[(2R,3R,4R,5S)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-1-hydroxyethyl]oxolane-2,3,4-triol
PubChem CID10569286
Molecular FormulaC12H22O11
Molecular Weight342.30 g/mol
Exact Mass342.12
IUPAC Name(2R,3R,4R,5S)-5-[(1S)-2-[(2R,3R,4R,5S)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-1-hydroxyethyl]oxolane-2,3,4-triol
SMILESOC[C@H](O)[C@@H]1O[C@@H](OC[C@H](O)[C@@H]2O[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O
InChIInChI=1S/C12H22O11/c13-1-3(14)9-6(17)8(19)12(23-9)21-2-4(15)10-5(16)7(18)11(20)22-10/h3-20H,1-2H2/t3-,4-,5+,6+,7+,8+,9-,10-,11+,12+/m0/s1
InChIKeyBFMJDJNGFYKYIF-LMSLPLBKSA-N
XLogP-5.40
TPSA189.53 Ų
H-Bond Donors8
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500342.30
LogP ≤ 5-5.40
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1011

Analyze (2R,3R,4R,5S)-5-[(1S)-2-[(2R,3R,4R,5S)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-1-hydroxyethyl]oxolane-2,3,4-triol with MolForge

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Related Compounds

(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
(2R,5S)-5-(1,2-dihydroxyethyl)oxolane-2,3,4-triol
CID 137349473
(2S,3S,4S,5S)-5-(1,2-dihydroxyethyl)oxolane-2,3,4-triol
CID 67949243
(2R,5R)-5-[(1S)-1,2-dihydroxyethyl]oxolane-2,3,4-triol
CID 129307306
(3R,4R,5R)-5-(1,2-dihydroxyethyl)oxolane-2,3,4-triol
CID 15560221
(3S,4S,5S)-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,4-triol
CID 15560232
(2R,3R,4S,5R)-5-[(1S)-1,2-dihydroxyethyl]oxolane-2,3,4-triol
CID 53249955
(2R,4S,5S)-6-[(1R)-1,2-dihydroxyethyl]oxane-2,3,4,5-tetrol
CID 132935719
(4R,5S)-6-[(1R)-1,2-dihydroxyethyl]oxane-2,3,4,5-tetrol
CID 172641949
(2R,3S,4S,5S,6R)-6-(1,2-dihydroxyethyl)oxane-2,3,4,5-tetrol
CID 69188119
(2S,3S,4S,5S,6R)-6-[(1R)-1,2-dihydroxyethyl]oxane-2,3,4,5-tetrol
CID 21120523
(2R,3S,4S,5S,6S)-6-[(1R)-1,2-dihydroxyethyl]oxane-2,3,4,5-tetrol
CID 25323127

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S)-5-[(1S)-2-[(2R,3R,4R,5S)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-1-hydroxyethyl]oxolane-2,3,4-triol?
The IUPAC name of (2R,3R,4R,5S)-5-[(1S)-2-[(2R,3R,4R,5S)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-1-hydroxyethyl]oxolane-2,3,4-triol (CID 10569286) is (2R,3R,4R,5S)-5-[(1S)-2-[(2R,3R,4R,5S)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-1-hydroxyethyl]oxolane-2,3,4-triol.
What is the SMILES notation for (2R,3R,4R,5S)-5-[(1S)-2-[(2R,3R,4R,5S)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-1-hydroxyethyl]oxolane-2,3,4-triol?
The canonical SMILES for (2R,3R,4R,5S)-5-[(1S)-2-[(2R,3R,4R,5S)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-1-hydroxyethyl]oxolane-2,3,4-triol is OC[C@H](O)[C@@H]1O[C@@H](OC[C@H](O)[C@@H]2O[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O.
What is the InChIKey of (2R,3R,4R,5S)-5-[(1S)-2-[(2R,3R,4R,5S)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-1-hydroxyethyl]oxolane-2,3,4-triol?
The InChIKey is BFMJDJNGFYKYIF-LMSLPLBKSA-N. The full InChI is InChI=1S/C12H22O11/c13-1-3(14)9-6(17)8(19)12(23-9)21-2-4(15)10-5(16)7(18)11(20)22-10/h3-20H,1-2H2/t3-,4-,5+,6+,7+,8+,9-,10-,11+,12+/m0/s1.
What are the key properties of (2R,3R,4R,5S)-5-[(1S)-2-[(2R,3R,4R,5S)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-1-hydroxyethyl]oxolane-2,3,4-triol?
(2R,3R,4R,5S)-5-[(1S)-2-[(2R,3R,4R,5S)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-1-hydroxyethyl]oxolane-2,3,4-triol has a molecular weight of 342.30 g/mol, XLogP of -5.40, 6 rotatable bonds, 8 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S)-5-[(1S)-2-[(2R,3R,4R,5S)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-1-hydroxyethyl]oxolane-2,3,4-triol is sourced from PubChem (CID 10569286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).