(2R,3R,4R,5S)-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]hexane-1,2,3,4,5,6-hexol

C12H24O11 — CID 22839085

IUPAC(2R,3R,4R,5S)-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]hexane-1,2,3,4,5,6-hexol
SMILESOC[C@@H](O)[C@@](O)([C@H](O)[C@@H](O)CO)[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C12H24O11/c13-1-4(16)10(21)12(22,6(17)3-15)11-9(20)8(19)7(18)5(2-14)23-11/h4-11,13-22H,1-3H2/t4-,5+,6+,7-,8-,9+,10+,11+,12+/m0/s1
InChIKeyAUSUXGHKJAVNSZ-NMYSYPRZSA-N
MW344.31 g/mol
LogP-6.37
Rot. Bonds7

About (2R,3R,4R,5S)-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]hexane-1,2,3,4,5,6-hexol

(2R,3R,4R,5S)-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]hexane-1,2,3,4,5,6-hexol (PubChem CID 22839085) has the molecular formula C12H24O11 and a molecular weight of 344.31 g/mol. Its IUPAC name is (2R,3R,4R,5S)-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]hexane-1,2,3,4,5,6-hexol.

Molecular Properties

Compound Name(2R,3R,4R,5S)-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]hexane-1,2,3,4,5,6-hexol
PubChem CID22839085
Molecular FormulaC12H24O11
Molecular Weight344.31 g/mol
Exact Mass344.13
IUPAC Name(2R,3R,4R,5S)-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]hexane-1,2,3,4,5,6-hexol
SMILESOC[C@@H](O)[C@@](O)([C@H](O)[C@@H](O)CO)[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C12H24O11/c13-1-4(16)10(21)12(22,6(17)3-15)11-9(20)8(19)7(18)5(2-14)23-11/h4-11,13-22H,1-3H2/t4-,5+,6+,7-,8-,9+,10+,11+,12+/m0/s1
InChIKeyAUSUXGHKJAVNSZ-NMYSYPRZSA-N
XLogP-6.37
TPSA211.53 Ų
H-Bond Donors10
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500344.31
LogP ≤ 5-6.37
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1011

Analyze (2R,3R,4R,5S)-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]hexane-1,2,3,4,5,6-hexol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S)-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]hexane-1,2,3,4,5,6-hexol?
The IUPAC name of (2R,3R,4R,5S)-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]hexane-1,2,3,4,5,6-hexol (CID 22839085) is (2R,3R,4R,5S)-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]hexane-1,2,3,4,5,6-hexol.
What is the SMILES notation for (2R,3R,4R,5S)-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]hexane-1,2,3,4,5,6-hexol?
The canonical SMILES for (2R,3R,4R,5S)-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]hexane-1,2,3,4,5,6-hexol is OC[C@@H](O)[C@@](O)([C@H](O)[C@@H](O)CO)[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of (2R,3R,4R,5S)-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]hexane-1,2,3,4,5,6-hexol?
The InChIKey is AUSUXGHKJAVNSZ-NMYSYPRZSA-N. The full InChI is InChI=1S/C12H24O11/c13-1-4(16)10(21)12(22,6(17)3-15)11-9(20)8(19)7(18)5(2-14)23-11/h4-11,13-22H,1-3H2/t4-,5+,6+,7-,8-,9+,10+,11+,12+/m0/s1.
What are the key properties of (2R,3R,4R,5S)-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]hexane-1,2,3,4,5,6-hexol?
(2R,3R,4R,5S)-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]hexane-1,2,3,4,5,6-hexol has a molecular weight of 344.31 g/mol, XLogP of -6.37, 7 rotatable bonds, 10 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S)-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]hexane-1,2,3,4,5,6-hexol is sourced from PubChem (CID 22839085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).