(2S,3R,4S,5R)-4-(hydroxymethyl)oxane-2,3,4,5-tetrol

C6H12O6 — CID 130874602

IUPAC(2S,3R,4S,5R)-4-(hydroxymethyl)oxane-2,3,4,5-tetrol
SMILESOC[C@]1(O)[C@H](O)CO[C@H](O)[C@@H]1O
InChIInChI=1S/C6H12O6/c7-2-6(11)3(8)1-12-5(10)4(6)9/h3-5,7-11H,1-2H2/t3-,4+,5+,6+/m1/s1
InChIKeyXULYGFMRZJHJSA-VANKVMQKSA-N
MW180.16 g/mol
LogP-3.22
Rot. Bonds1

About (2S,3R,4S,5R)-4-(hydroxymethyl)oxane-2,3,4,5-tetrol

(2S,3R,4S,5R)-4-(hydroxymethyl)oxane-2,3,4,5-tetrol (PubChem CID 130874602) has the molecular formula C6H12O6 and a molecular weight of 180.16 g/mol. Its IUPAC name is (2S,3R,4S,5R)-4-(hydroxymethyl)oxane-2,3,4,5-tetrol.

Molecular Properties

Compound Name(2S,3R,4S,5R)-4-(hydroxymethyl)oxane-2,3,4,5-tetrol
PubChem CID130874602
Molecular FormulaC6H12O6
Molecular Weight180.16 g/mol
Exact Mass180.06
IUPAC Name(2S,3R,4S,5R)-4-(hydroxymethyl)oxane-2,3,4,5-tetrol
SMILESOC[C@]1(O)[C@H](O)CO[C@H](O)[C@@H]1O
InChIInChI=1S/C6H12O6/c7-2-6(11)3(8)1-12-5(10)4(6)9/h3-5,7-11H,1-2H2/t3-,4+,5+,6+/m1/s1
InChIKeyXULYGFMRZJHJSA-VANKVMQKSA-N
XLogP-3.22
TPSA110.38 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.16
LogP ≤ 5-3.22
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze (2S,3R,4S,5R)-4-(hydroxymethyl)oxane-2,3,4,5-tetrol 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 (2S,3R,4S,5R)-4-(hydroxymethyl)oxane-2,3,4,5-tetrol?
The IUPAC name of (2S,3R,4S,5R)-4-(hydroxymethyl)oxane-2,3,4,5-tetrol (CID 130874602) is (2S,3R,4S,5R)-4-(hydroxymethyl)oxane-2,3,4,5-tetrol.
What is the SMILES notation for (2S,3R,4S,5R)-4-(hydroxymethyl)oxane-2,3,4,5-tetrol?
The canonical SMILES for (2S,3R,4S,5R)-4-(hydroxymethyl)oxane-2,3,4,5-tetrol is OC[C@]1(O)[C@H](O)CO[C@H](O)[C@@H]1O.
What is the InChIKey of (2S,3R,4S,5R)-4-(hydroxymethyl)oxane-2,3,4,5-tetrol?
The InChIKey is XULYGFMRZJHJSA-VANKVMQKSA-N. The full InChI is InChI=1S/C6H12O6/c7-2-6(11)3(8)1-12-5(10)4(6)9/h3-5,7-11H,1-2H2/t3-,4+,5+,6+/m1/s1.
What are the key properties of (2S,3R,4S,5R)-4-(hydroxymethyl)oxane-2,3,4,5-tetrol?
(2S,3R,4S,5R)-4-(hydroxymethyl)oxane-2,3,4,5-tetrol has a molecular weight of 180.16 g/mol, XLogP of -3.22, 1 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5R)-4-(hydroxymethyl)oxane-2,3,4,5-tetrol is sourced from PubChem (CID 130874602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).