(2R,3R,4S,6S)-4,6-dimethoxy-2,4-dimethyloxan-3-ol

C9H18O4 — CID 70005079

IUPAC(2R,3R,4S,6S)-4,6-dimethoxy-2,4-dimethyloxan-3-ol
SMILESCO[C@@H]1C[C@](C)(OC)[C@H](O)[C@@H](C)O1
InChIInChI=1S/C9H18O4/c1-6-8(10)9(2,12-4)5-7(11-3)13-6/h6-8,10H,5H2,1-4H3/t6-,7+,8-,9+/m1/s1
InChIKeyZXFXXCUAVWXSCJ-XAVMHZPKSA-N
MW190.24 g/mol
LogP0.53
Rot. Bonds2

About (2R,3R,4S,6S)-4,6-dimethoxy-2,4-dimethyloxan-3-ol

(2R,3R,4S,6S)-4,6-dimethoxy-2,4-dimethyloxan-3-ol (PubChem CID 70005079) has the molecular formula C9H18O4 and a molecular weight of 190.24 g/mol. Its IUPAC name is (2R,3R,4S,6S)-4,6-dimethoxy-2,4-dimethyloxan-3-ol.

Molecular Properties

Compound Name(2R,3R,4S,6S)-4,6-dimethoxy-2,4-dimethyloxan-3-ol
PubChem CID70005079
Molecular FormulaC9H18O4
Molecular Weight190.24 g/mol
Exact Mass190.12
IUPAC Name(2R,3R,4S,6S)-4,6-dimethoxy-2,4-dimethyloxan-3-ol
SMILESCO[C@@H]1C[C@](C)(OC)[C@H](O)[C@@H](C)O1
InChIInChI=1S/C9H18O4/c1-6-8(10)9(2,12-4)5-7(11-3)13-6/h6-8,10H,5H2,1-4H3/t6-,7+,8-,9+/m1/s1
InChIKeyZXFXXCUAVWXSCJ-XAVMHZPKSA-N
XLogP0.53
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R,3R,4S,6S)-4,6-dimethoxy-2,4-dimethyloxan-3-ol 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 (2R,3R,4S,6S)-4,6-dimethoxy-2,4-dimethyloxan-3-ol?
The IUPAC name of (2R,3R,4S,6S)-4,6-dimethoxy-2,4-dimethyloxan-3-ol (CID 70005079) is (2R,3R,4S,6S)-4,6-dimethoxy-2,4-dimethyloxan-3-ol.
What is the SMILES notation for (2R,3R,4S,6S)-4,6-dimethoxy-2,4-dimethyloxan-3-ol?
The canonical SMILES for (2R,3R,4S,6S)-4,6-dimethoxy-2,4-dimethyloxan-3-ol is CO[C@@H]1C[C@](C)(OC)[C@H](O)[C@@H](C)O1.
What is the InChIKey of (2R,3R,4S,6S)-4,6-dimethoxy-2,4-dimethyloxan-3-ol?
The InChIKey is ZXFXXCUAVWXSCJ-XAVMHZPKSA-N. The full InChI is InChI=1S/C9H18O4/c1-6-8(10)9(2,12-4)5-7(11-3)13-6/h6-8,10H,5H2,1-4H3/t6-,7+,8-,9+/m1/s1.
What are the key properties of (2R,3R,4S,6S)-4,6-dimethoxy-2,4-dimethyloxan-3-ol?
(2R,3R,4S,6S)-4,6-dimethoxy-2,4-dimethyloxan-3-ol has a molecular weight of 190.24 g/mol, XLogP of 0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,6S)-4,6-dimethoxy-2,4-dimethyloxan-3-ol is sourced from PubChem (CID 70005079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).