(2R,3R,4S,5R,6S)-4,5,6-trimethoxy-2-methyloxan-3-ol

C9H18O5 — CID 13122553

IUPAC(2R,3R,4S,5R,6S)-4,5,6-trimethoxy-2-methyloxan-3-ol
SMILESCO[C@H]1O[C@H](C)[C@@H](O)[C@H](OC)[C@H]1OC
InChIInChI=1S/C9H18O5/c1-5-6(10)7(11-2)8(12-3)9(13-4)14-5/h5-10H,1-4H3/t5-,6-,7+,8-,9+/m1/s1
InChIKeyGGSGGXYXAMNEQO-ZEBDFXRSSA-N
MW206.24 g/mol
LogP-0.23
Rot. Bonds3

About (2R,3R,4S,5R,6S)-4,5,6-trimethoxy-2-methyloxan-3-ol

(2R,3R,4S,5R,6S)-4,5,6-trimethoxy-2-methyloxan-3-ol (PubChem CID 13122553) has the molecular formula C9H18O5 and a molecular weight of 206.24 g/mol. Its IUPAC name is (2R,3R,4S,5R,6S)-4,5,6-trimethoxy-2-methyloxan-3-ol.

Molecular Properties

Compound Name(2R,3R,4S,5R,6S)-4,5,6-trimethoxy-2-methyloxan-3-ol
PubChem CID13122553
Molecular FormulaC9H18O5
Molecular Weight206.24 g/mol
Exact Mass206.12
IUPAC Name(2R,3R,4S,5R,6S)-4,5,6-trimethoxy-2-methyloxan-3-ol
SMILESCO[C@H]1O[C@H](C)[C@@H](O)[C@H](OC)[C@H]1OC
InChIInChI=1S/C9H18O5/c1-5-6(10)7(11-2)8(12-3)9(13-4)14-5/h5-10H,1-4H3/t5-,6-,7+,8-,9+/m1/s1
InChIKeyGGSGGXYXAMNEQO-ZEBDFXRSSA-N
XLogP-0.23
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R,3R,4S,5R,6S)-4,5,6-trimethoxy-2-methyloxan-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,5R,6S)-4,5,6-trimethoxy-2-methyloxan-3-ol?
The IUPAC name of (2R,3R,4S,5R,6S)-4,5,6-trimethoxy-2-methyloxan-3-ol (CID 13122553) is (2R,3R,4S,5R,6S)-4,5,6-trimethoxy-2-methyloxan-3-ol.
What is the SMILES notation for (2R,3R,4S,5R,6S)-4,5,6-trimethoxy-2-methyloxan-3-ol?
The canonical SMILES for (2R,3R,4S,5R,6S)-4,5,6-trimethoxy-2-methyloxan-3-ol is CO[C@H]1O[C@H](C)[C@@H](O)[C@H](OC)[C@H]1OC.
What is the InChIKey of (2R,3R,4S,5R,6S)-4,5,6-trimethoxy-2-methyloxan-3-ol?
The InChIKey is GGSGGXYXAMNEQO-ZEBDFXRSSA-N. The full InChI is InChI=1S/C9H18O5/c1-5-6(10)7(11-2)8(12-3)9(13-4)14-5/h5-10H,1-4H3/t5-,6-,7+,8-,9+/m1/s1.
What are the key properties of (2R,3R,4S,5R,6S)-4,5,6-trimethoxy-2-methyloxan-3-ol?
(2R,3R,4S,5R,6S)-4,5,6-trimethoxy-2-methyloxan-3-ol has a molecular weight of 206.24 g/mol, XLogP of -0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R,6S)-4,5,6-trimethoxy-2-methyloxan-3-ol is sourced from PubChem (CID 13122553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).