(2S,3R)-2,3-dimethoxybutane-1,4-diol

C6H14O4 — CID 119097957

IUPAC(2S,3R)-2,3-dimethoxybutane-1,4-diol
SMILESCO[C@@H](CO)[C@@H](CO)OC
InChIInChI=1S/C6H14O4/c1-9-5(3-7)6(4-8)10-2/h5-8H,3-4H2,1-2H3/t5-,6+
InChIKeyNGYWQOYLCHMYOO-OLQVQODUSA-N
MW150.17 g/mol
LogP-1.00
Rot. Bonds5

About (2S,3R)-2,3-dimethoxybutane-1,4-diol

(2S,3R)-2,3-dimethoxybutane-1,4-diol (PubChem CID 119097957) has the molecular formula C6H14O4 and a molecular weight of 150.17 g/mol. Its IUPAC name is (2S,3R)-2,3-dimethoxybutane-1,4-diol.

Molecular Properties

Compound Name(2S,3R)-2,3-dimethoxybutane-1,4-diol
PubChem CID119097957
Molecular FormulaC6H14O4
Molecular Weight150.17 g/mol
Exact Mass150.09
IUPAC Name(2S,3R)-2,3-dimethoxybutane-1,4-diol
SMILESCO[C@@H](CO)[C@@H](CO)OC
InChIInChI=1S/C6H14O4/c1-9-5(3-7)6(4-8)10-2/h5-8H,3-4H2,1-2H3/t5-,6+
InChIKeyNGYWQOYLCHMYOO-OLQVQODUSA-N
XLogP-1.00
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.17
LogP ≤ 5-1.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S,3R)-2,3-dimethoxybutane-1,4-diol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2,3-dimethoxybutane-1,4-diol?
The IUPAC name of (2S,3R)-2,3-dimethoxybutane-1,4-diol (CID 119097957) is (2S,3R)-2,3-dimethoxybutane-1,4-diol.
What is the SMILES notation for (2S,3R)-2,3-dimethoxybutane-1,4-diol?
The canonical SMILES for (2S,3R)-2,3-dimethoxybutane-1,4-diol is CO[C@@H](CO)[C@@H](CO)OC.
What is the InChIKey of (2S,3R)-2,3-dimethoxybutane-1,4-diol?
The InChIKey is NGYWQOYLCHMYOO-OLQVQODUSA-N. The full InChI is InChI=1S/C6H14O4/c1-9-5(3-7)6(4-8)10-2/h5-8H,3-4H2,1-2H3/t5-,6+.
What are the key properties of (2S,3R)-2,3-dimethoxybutane-1,4-diol?
(2S,3R)-2,3-dimethoxybutane-1,4-diol has a molecular weight of 150.17 g/mol, XLogP of -1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2,3-dimethoxybutane-1,4-diol is sourced from PubChem (CID 119097957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).