(4S,6S)-6-(hydroxymethyl)oxane-3,4-diol

C6H12O4 — CID 89129444

IUPAC(4S,6S)-6-(hydroxymethyl)oxane-3,4-diol
SMILESOC[C@@H]1C[C@H](O)C(O)CO1
InChIInChI=1S/C6H12O4/c7-2-4-1-5(8)6(9)3-10-4/h4-9H,1-3H2/t4-,5-,6?/m0/s1
InChIKeyPOHLHDSBJAEFFB-HVYQYDHPSA-N
MW148.16 g/mol
LogP-1.51
Rot. Bonds1

About (4S,6S)-6-(hydroxymethyl)oxane-3,4-diol

(4S,6S)-6-(hydroxymethyl)oxane-3,4-diol (PubChem CID 89129444) has the molecular formula C6H12O4 and a molecular weight of 148.16 g/mol. Its IUPAC name is (4S,6S)-6-(hydroxymethyl)oxane-3,4-diol.

Molecular Properties

Compound Name(4S,6S)-6-(hydroxymethyl)oxane-3,4-diol
PubChem CID89129444
Molecular FormulaC6H12O4
Molecular Weight148.16 g/mol
Exact Mass148.07
IUPAC Name(4S,6S)-6-(hydroxymethyl)oxane-3,4-diol
SMILESOC[C@@H]1C[C@H](O)C(O)CO1
InChIInChI=1S/C6H12O4/c7-2-4-1-5(8)6(9)3-10-4/h4-9H,1-3H2/t4-,5-,6?/m0/s1
InChIKeyPOHLHDSBJAEFFB-HVYQYDHPSA-N
XLogP-1.51
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 5-1.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (4S,6S)-6-(hydroxymethyl)oxane-3,4-diol with MolForge

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

Launch Full Analysis

Related Compounds

Sorbitol
CID 5780
D-Glucose
CID 5793
Mannitol
CID 6251
D-Fructose
CID 2723872
D-Tagatose
CID 439312
D-Galactose
CID 6036
Galactitol
CID 11850
Hexose
CID 206
Beta-D-Glucose
CID 64689
L-Fucose
CID 17106
Beta-D-Fructopyranose
CID 24310
beta-D-Galactopyranose
CID 439353

Frequently Asked Questions

What is the IUPAC name of (4S,6S)-6-(hydroxymethyl)oxane-3,4-diol?
The IUPAC name of (4S,6S)-6-(hydroxymethyl)oxane-3,4-diol (CID 89129444) is (4S,6S)-6-(hydroxymethyl)oxane-3,4-diol.
What is the SMILES notation for (4S,6S)-6-(hydroxymethyl)oxane-3,4-diol?
The canonical SMILES for (4S,6S)-6-(hydroxymethyl)oxane-3,4-diol is OC[C@@H]1C[C@H](O)C(O)CO1.
What is the InChIKey of (4S,6S)-6-(hydroxymethyl)oxane-3,4-diol?
The InChIKey is POHLHDSBJAEFFB-HVYQYDHPSA-N. The full InChI is InChI=1S/C6H12O4/c7-2-4-1-5(8)6(9)3-10-4/h4-9H,1-3H2/t4-,5-,6?/m0/s1.
What are the key properties of (4S,6S)-6-(hydroxymethyl)oxane-3,4-diol?
(4S,6S)-6-(hydroxymethyl)oxane-3,4-diol has a molecular weight of 148.16 g/mol, XLogP of -1.51, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,6S)-6-(hydroxymethyl)oxane-3,4-diol is sourced from PubChem (CID 89129444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).