(3S,4R,5S,6S)-4,5-dimethoxy-2,6-dimethyloxan-3-ol

C9H18O4 — CID 129044484

IUPAC(3S,4R,5S,6S)-4,5-dimethoxy-2,6-dimethyloxan-3-ol
SMILESCO[C@@H]1[C@H](OC)[C@@H](O)C(C)O[C@H]1C
InChIInChI=1S/C9H18O4/c1-5-7(10)9(12-4)8(11-3)6(2)13-5/h5-10H,1-4H3/t5?,6-,7-,8-,9+/m0/s1
InChIKeyBBGFTQCERXPALH-BQNZPOLKSA-N
MW190.24 g/mol
LogP0.18
Rot. Bonds2

About (3S,4R,5S,6S)-4,5-dimethoxy-2,6-dimethyloxan-3-ol

(3S,4R,5S,6S)-4,5-dimethoxy-2,6-dimethyloxan-3-ol (PubChem CID 129044484) has the molecular formula C9H18O4 and a molecular weight of 190.24 g/mol. Its IUPAC name is (3S,4R,5S,6S)-4,5-dimethoxy-2,6-dimethyloxan-3-ol.

Molecular Properties

Compound Name(3S,4R,5S,6S)-4,5-dimethoxy-2,6-dimethyloxan-3-ol
PubChem CID129044484
Molecular FormulaC9H18O4
Molecular Weight190.24 g/mol
Exact Mass190.12
IUPAC Name(3S,4R,5S,6S)-4,5-dimethoxy-2,6-dimethyloxan-3-ol
SMILESCO[C@@H]1[C@H](OC)[C@@H](O)C(C)O[C@H]1C
InChIInChI=1S/C9H18O4/c1-5-7(10)9(12-4)8(11-3)6(2)13-5/h5-10H,1-4H3/t5?,6-,7-,8-,9+/m0/s1
InChIKeyBBGFTQCERXPALH-BQNZPOLKSA-N
XLogP0.18
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 ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S,4R,5S,6S)-4,5-dimethoxy-2,6-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

Related Compounds

(2R,5S)-4-methoxy-2,6-dimethyloxane-3,5-diol
CID 157162950
(2R,3R,4S,5R,6S)-4,5,6-trimethoxy-2-methyloxan-3-ol
CID 13122553
(2S,5R)-3,5-dimethoxy-2,6-dimethyloxan-4-ol
CID 129044489
(2S,3R,4S,5R,6R)-3,4-dimethoxy-6-methyloxane-2,5-diol
CID 130928120
(3S)-3,4,5-trimethoxy-2,6-dimethyloxane
CID 129044476
(3R,4S,5S,6R)-4-methoxy-6-methyloxane-2,3,5-triol
CID 15558282
4,5-dimethoxy-2-methyl-6-propan-2-yloxan-3-ol
CID 58590815
(2S,3R,4S,5S,6S)-2-[(2R,3R,4S,5S,6S)-5-hydroxy-2,3-dimethoxy-6-methyloxan-4-yl]oxy-6-methyl-4-[(2R,3S,4S,5S,6R)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxyoxane-3,5-diol
CID 162842808
(2S,3S,4R,5R,6S)-6-[(2S,3R,4R,5S,6S)-5-hydroxy-2-[(2S,3S,4R,5R)-6-hydroxy-4,5-dimethoxy-2-methyloxan-3-yl]oxy-4-methoxy-6-methyloxan-3-yl]oxy-4,5-dimethoxy-2-methyloxan-3-ol
CID 91858811
(2R,3S,4S,5S,6S)-5-methoxy-6-methyloxane-2,3,4-triol
CID 156614259
(3S,4S,5S,6R)-3-methoxy-6-methyloxane-2,4,5-triol
CID 129188331
ethane;(2R,5S)-3,4,5-trimethoxy-6-methyloxan-2-ol
CID 142172396

Frequently Asked Questions

What is the IUPAC name of (3S,4R,5S,6S)-4,5-dimethoxy-2,6-dimethyloxan-3-ol?
The IUPAC name of (3S,4R,5S,6S)-4,5-dimethoxy-2,6-dimethyloxan-3-ol (CID 129044484) is (3S,4R,5S,6S)-4,5-dimethoxy-2,6-dimethyloxan-3-ol.
What is the SMILES notation for (3S,4R,5S,6S)-4,5-dimethoxy-2,6-dimethyloxan-3-ol?
The canonical SMILES for (3S,4R,5S,6S)-4,5-dimethoxy-2,6-dimethyloxan-3-ol is CO[C@@H]1[C@H](OC)[C@@H](O)C(C)O[C@H]1C.
What is the InChIKey of (3S,4R,5S,6S)-4,5-dimethoxy-2,6-dimethyloxan-3-ol?
The InChIKey is BBGFTQCERXPALH-BQNZPOLKSA-N. The full InChI is InChI=1S/C9H18O4/c1-5-7(10)9(12-4)8(11-3)6(2)13-5/h5-10H,1-4H3/t5?,6-,7-,8-,9+/m0/s1.
What are the key properties of (3S,4R,5S,6S)-4,5-dimethoxy-2,6-dimethyloxan-3-ol?
(3S,4R,5S,6S)-4,5-dimethoxy-2,6-dimethyloxan-3-ol has a molecular weight of 190.24 g/mol, XLogP of 0.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R,5S,6S)-4,5-dimethoxy-2,6-dimethyloxan-3-ol is sourced from PubChem (CID 129044484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).