(2S,3S,4S,5S,6R)-2,6-dimethoxyoxepane-3,4,5-triol

C8H16O6 — CID 58510378

IUPAC(2S,3S,4S,5S,6R)-2,6-dimethoxyoxepane-3,4,5-triol
SMILESCO[C@H]1OC[C@@H](OC)[C@@H](O)[C@H](O)[C@@H]1O
InChIInChI=1S/C8H16O6/c1-12-4-3-14-8(13-2)7(11)6(10)5(4)9/h4-11H,3H2,1-2H3/t4-,5-,6+,7+,8+/m1/s1
InChIKeySVMLWEQKNFHQBK-HEIBUPTGSA-N
MW208.21 g/mol
LogP-1.91
Rot. Bonds2

About (2S,3S,4S,5S,6R)-2,6-dimethoxyoxepane-3,4,5-triol

(2S,3S,4S,5S,6R)-2,6-dimethoxyoxepane-3,4,5-triol (PubChem CID 58510378) has the molecular formula C8H16O6 and a molecular weight of 208.21 g/mol. Its IUPAC name is (2S,3S,4S,5S,6R)-2,6-dimethoxyoxepane-3,4,5-triol.

Molecular Properties

Compound Name(2S,3S,4S,5S,6R)-2,6-dimethoxyoxepane-3,4,5-triol
PubChem CID58510378
Molecular FormulaC8H16O6
Molecular Weight208.21 g/mol
Exact Mass208.09
IUPAC Name(2S,3S,4S,5S,6R)-2,6-dimethoxyoxepane-3,4,5-triol
SMILESCO[C@H]1OC[C@@H](OC)[C@@H](O)[C@H](O)[C@@H]1O
InChIInChI=1S/C8H16O6/c1-12-4-3-14-8(13-2)7(11)6(10)5(4)9/h4-11H,3H2,1-2H3/t4-,5-,6+,7+,8+/m1/s1
InChIKeySVMLWEQKNFHQBK-HEIBUPTGSA-N
XLogP-1.91
TPSA88.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
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 (2S,3S,4S,5S,6R)-2,6-dimethoxyoxepane-3,4,5-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 (2S,3S,4S,5S,6R)-2,6-dimethoxyoxepane-3,4,5-triol?
The IUPAC name of (2S,3S,4S,5S,6R)-2,6-dimethoxyoxepane-3,4,5-triol (CID 58510378) is (2S,3S,4S,5S,6R)-2,6-dimethoxyoxepane-3,4,5-triol.
What is the SMILES notation for (2S,3S,4S,5S,6R)-2,6-dimethoxyoxepane-3,4,5-triol?
The canonical SMILES for (2S,3S,4S,5S,6R)-2,6-dimethoxyoxepane-3,4,5-triol is CO[C@H]1OC[C@@H](OC)[C@@H](O)[C@H](O)[C@@H]1O.
What is the InChIKey of (2S,3S,4S,5S,6R)-2,6-dimethoxyoxepane-3,4,5-triol?
The InChIKey is SVMLWEQKNFHQBK-HEIBUPTGSA-N. The full InChI is InChI=1S/C8H16O6/c1-12-4-3-14-8(13-2)7(11)6(10)5(4)9/h4-11H,3H2,1-2H3/t4-,5-,6+,7+,8+/m1/s1.
What are the key properties of (2S,3S,4S,5S,6R)-2,6-dimethoxyoxepane-3,4,5-triol?
(2S,3S,4S,5S,6R)-2,6-dimethoxyoxepane-3,4,5-triol has a molecular weight of 208.21 g/mol, XLogP of -1.91, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S,5S,6R)-2,6-dimethoxyoxepane-3,4,5-triol is sourced from PubChem (CID 58510378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).