(4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-one

C6H10O5 — CID 57227997

IUPAC(4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-one
SMILESO=C1C[C@@H](O)[C@@H](O)[C@@H](CO)O1
InChIInChI=1S/C6H10O5/c7-2-4-6(10)3(8)1-5(9)11-4/h3-4,6-8,10H,1-2H2/t3-,4-,6-/m1/s1
InChIKeyDBXNZGWNBVNDSO-ZMIZWQJLSA-N
MW162.14 g/mol
LogP-1.98
Rot. Bonds1

About (4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-one

(4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-one (PubChem CID 57227997) has the molecular formula C6H10O5 and a molecular weight of 162.14 g/mol. Its IUPAC name is (4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-one.

Molecular Properties

Compound Name(4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-one
PubChem CID57227997
Molecular FormulaC6H10O5
Molecular Weight162.14 g/mol
Exact Mass162.05
IUPAC Name(4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-one
SMILESO=C1C[C@@H](O)[C@@H](O)[C@@H](CO)O1
InChIInChI=1S/C6H10O5/c7-2-4-6(10)3(8)1-5(9)11-4/h3-4,6-8,10H,1-2H2/t3-,4-,6-/m1/s1
InChIKeyDBXNZGWNBVNDSO-ZMIZWQJLSA-N
XLogP-1.98
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.14
LogP ≤ 5-1.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-one 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 (4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-one?
The IUPAC name of (4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-one (CID 57227997) is (4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-one.
What is the SMILES notation for (4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-one?
The canonical SMILES for (4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-one is O=C1C[C@@H](O)[C@@H](O)[C@@H](CO)O1.
What is the InChIKey of (4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-one?
The InChIKey is DBXNZGWNBVNDSO-ZMIZWQJLSA-N. The full InChI is InChI=1S/C6H10O5/c7-2-4-6(10)3(8)1-5(9)11-4/h3-4,6-8,10H,1-2H2/t3-,4-,6-/m1/s1.
What are the key properties of (4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-one?
(4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-one has a molecular weight of 162.14 g/mol, XLogP of -1.98, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-one is sourced from PubChem (CID 57227997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).