(4R)-1-methoxypentane-2,3,4-triol

C6H14O4 — CID 174089991

IUPAC(4R)-1-methoxypentane-2,3,4-triol
SMILESCOCC(O)C(O)[C@@H](C)O
InChIInChI=1S/C6H14O4/c1-4(7)6(9)5(8)3-10-2/h4-9H,3H2,1-2H3/t4-,5?,6?/m1/s1
InChIKeyXRNVOOAAWLYRMJ-IISSFJTQSA-N
MW150.17 g/mol
LogP-1.26
Rot. Bonds4

About (4R)-1-methoxypentane-2,3,4-triol

(4R)-1-methoxypentane-2,3,4-triol (PubChem CID 174089991) has the molecular formula C6H14O4 and a molecular weight of 150.17 g/mol. Its IUPAC name is (4R)-1-methoxypentane-2,3,4-triol.

Molecular Properties

Compound Name(4R)-1-methoxypentane-2,3,4-triol
PubChem CID174089991
Molecular FormulaC6H14O4
Molecular Weight150.17 g/mol
Exact Mass150.09
IUPAC Name(4R)-1-methoxypentane-2,3,4-triol
SMILESCOCC(O)C(O)[C@@H](C)O
InChIInChI=1S/C6H14O4/c1-4(7)6(9)5(8)3-10-2/h4-9H,3H2,1-2H3/t4-,5?,6?/m1/s1
InChIKeyXRNVOOAAWLYRMJ-IISSFJTQSA-N
XLogP-1.26
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.17
LogP ≤ 5-1.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (4R)-1-methoxypentane-2,3,4-triol 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)-1-methoxypentane-2,3,4-triol?
The IUPAC name of (4R)-1-methoxypentane-2,3,4-triol (CID 174089991) is (4R)-1-methoxypentane-2,3,4-triol.
What is the SMILES notation for (4R)-1-methoxypentane-2,3,4-triol?
The canonical SMILES for (4R)-1-methoxypentane-2,3,4-triol is COCC(O)C(O)[C@@H](C)O.
What is the InChIKey of (4R)-1-methoxypentane-2,3,4-triol?
The InChIKey is XRNVOOAAWLYRMJ-IISSFJTQSA-N. The full InChI is InChI=1S/C6H14O4/c1-4(7)6(9)5(8)3-10-2/h4-9H,3H2,1-2H3/t4-,5?,6?/m1/s1.
What are the key properties of (4R)-1-methoxypentane-2,3,4-triol?
(4R)-1-methoxypentane-2,3,4-triol has a molecular weight of 150.17 g/mol, XLogP of -1.26, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-methoxypentane-2,3,4-triol is sourced from PubChem (CID 174089991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).