3-methoxy-6-(methoxymethyl)oxane-2,4,5-triol

C8H16O6 — CID 6421426

IUPAC3-methoxy-6-(methoxymethyl)oxane-2,4,5-triol
SMILESCOCC1OC(O)C(OC)C(O)C1O
InChIInChI=1S/C8H16O6/c1-12-3-4-5(9)6(10)7(13-2)8(11)14-4/h4-11H,3H2,1-2H3
InChIKeyCJUQCEZPMNQPIV-UHFFFAOYSA-N
MW208.21 g/mol
LogP-1.91
Rot. Bonds3

About 3-methoxy-6-(methoxymethyl)oxane-2,4,5-triol

3-methoxy-6-(methoxymethyl)oxane-2,4,5-triol (PubChem CID 6421426) has the molecular formula C8H16O6 and a molecular weight of 208.21 g/mol. Its IUPAC name is 3-methoxy-6-(methoxymethyl)oxane-2,4,5-triol.

Molecular Properties

Compound Name3-methoxy-6-(methoxymethyl)oxane-2,4,5-triol
PubChem CID6421426
Molecular FormulaC8H16O6
Molecular Weight208.21 g/mol
Exact Mass208.09
IUPAC Name3-methoxy-6-(methoxymethyl)oxane-2,4,5-triol
SMILESCOCC1OC(O)C(OC)C(O)C1O
InChIInChI=1S/C8H16O6/c1-12-3-4-5(9)6(10)7(13-2)8(11)14-4/h4-11H,3H2,1-2H3
InChIKeyCJUQCEZPMNQPIV-UHFFFAOYSA-N
XLogP-1.91
TPSA88.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 5-1.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-methoxy-6-(methoxymethyl)oxane-2,4,5-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 3-methoxy-6-(methoxymethyl)oxane-2,4,5-triol?
The IUPAC name of 3-methoxy-6-(methoxymethyl)oxane-2,4,5-triol (CID 6421426) is 3-methoxy-6-(methoxymethyl)oxane-2,4,5-triol.
What is the SMILES notation for 3-methoxy-6-(methoxymethyl)oxane-2,4,5-triol?
The canonical SMILES for 3-methoxy-6-(methoxymethyl)oxane-2,4,5-triol is COCC1OC(O)C(OC)C(O)C1O.
What is the InChIKey of 3-methoxy-6-(methoxymethyl)oxane-2,4,5-triol?
The InChIKey is CJUQCEZPMNQPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O6/c1-12-3-4-5(9)6(10)7(13-2)8(11)14-4/h4-11H,3H2,1-2H3.
What are the key properties of 3-methoxy-6-(methoxymethyl)oxane-2,4,5-triol?
3-methoxy-6-(methoxymethyl)oxane-2,4,5-triol has a molecular weight of 208.21 g/mol, XLogP of -1.91, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-6-(methoxymethyl)oxane-2,4,5-triol is sourced from PubChem (CID 6421426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).