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

C7H14O4 — CID 90181496

IUPAC(2R,3R,5S)-2,6-dimethyloxane-3,4,5-triol
SMILESCC1O[C@H](C)[C@H](O)C(O)[C@@H]1O
InChIInChI=1S/C7H14O4/c1-3-5(8)7(10)6(9)4(2)11-3/h3-10H,1-2H3/t3-,4?,5+,6-,7?/m1/s1
InChIKeyDVZKNXRZLVIBOY-PUMXMPOESA-N
MW162.18 g/mol
LogP-1.12
Rot. Bonds

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

(2R,3R,5S)-2,6-dimethyloxane-3,4,5-triol (PubChem CID 90181496) has the molecular formula C7H14O4 and a molecular weight of 162.18 g/mol. Its IUPAC name is (2R,3R,5S)-2,6-dimethyloxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3R,5S)-2,6-dimethyloxane-3,4,5-triol
PubChem CID90181496
Molecular FormulaC7H14O4
Molecular Weight162.18 g/mol
Exact Mass162.09
IUPAC Name(2R,3R,5S)-2,6-dimethyloxane-3,4,5-triol
SMILESCC1O[C@H](C)[C@H](O)C(O)[C@@H]1O
InChIInChI=1S/C7H14O4/c1-3-5(8)7(10)6(9)4(2)11-3/h3-10H,1-2H3/t3-,4?,5+,6-,7?/m1/s1
InChIKeyDVZKNXRZLVIBOY-PUMXMPOESA-N
XLogP-1.12
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.18
LogP ≤ 5-1.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2R,3R,5S)-2,6-dimethyloxane-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

Related Compounds

(3R,4R,6S)-2,4,5,6-tetramethyloxan-3-ol
CID 91529675
(3S,4R,5S,6S)-6-methyl(213C)oxane-2,3,4,5-tetrol
CID 101369112
(2R,3R,4S,5R,6R)-6-methyloxane-2,3,4,5-tetrol;(2R,3S,4R,5S,6S)-6-methyloxane-2,3,4,5-tetrol
CID 129314639
CID 171369816
CID 171369816
(3S,4R,5R)-6-methyloxane-2,3,4,5-tetrol
CID 59897521
(3R,4R,5R,6S)-6-methyl(213C)oxane-2,3,4,5-tetrol
CID 90472741
(3R,4R,5R,6R)-6-methyloxane-2,3,4,5-tetrol;hydrate
CID 135391148
(3R)-5-methyloxolane-2,3,4-triol
CID 59335588
(2S,3S,4R,5S,6R)-2-methyl-6-sulfanyloxane-3,4,5-triol
CID 22815166
(2R,3R,4S,5R,6R)-2-methyl-6-sulfanyloxane-3,4,5-triol
CID 56635069
(3R,4R,5R,6S)-2-deuterio-6-methyloxane-2,3,4,5-tetrol
CID 175810466
CID 58545377
CID 58545377

Frequently Asked Questions

What is the IUPAC name of (2R,3R,5S)-2,6-dimethyloxane-3,4,5-triol?
The IUPAC name of (2R,3R,5S)-2,6-dimethyloxane-3,4,5-triol (CID 90181496) is (2R,3R,5S)-2,6-dimethyloxane-3,4,5-triol.
What is the SMILES notation for (2R,3R,5S)-2,6-dimethyloxane-3,4,5-triol?
The canonical SMILES for (2R,3R,5S)-2,6-dimethyloxane-3,4,5-triol is CC1O[C@H](C)[C@H](O)C(O)[C@@H]1O.
What is the InChIKey of (2R,3R,5S)-2,6-dimethyloxane-3,4,5-triol?
The InChIKey is DVZKNXRZLVIBOY-PUMXMPOESA-N. The full InChI is InChI=1S/C7H14O4/c1-3-5(8)7(10)6(9)4(2)11-3/h3-10H,1-2H3/t3-,4?,5+,6-,7?/m1/s1.
What are the key properties of (2R,3R,5S)-2,6-dimethyloxane-3,4,5-triol?
(2R,3R,5S)-2,6-dimethyloxane-3,4,5-triol has a molecular weight of 162.18 g/mol, XLogP of -1.12, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,5S)-2,6-dimethyloxane-3,4,5-triol is sourced from PubChem (CID 90181496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).