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

C7H14O4 — CID 10154192

IUPAC(2S,4R,5S,6S)-4,6-dimethyloxane-2,4,5-triol
SMILESC[C@@H]1O[C@H](O)C[C@@](C)(O)[C@H]1O
InChIInChI=1S/C7H14O4/c1-4-6(9)7(2,10)3-5(8)11-4/h4-6,8-10H,3H2,1-2H3/t4-,5-,6-,7+/m0/s1
InChIKeyYQLFLCVNXSPEKQ-ZTYPAOSTSA-N
MW162.18 g/mol
LogP-0.77
Rot. Bonds

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

(2S,4R,5S,6S)-4,6-dimethyloxane-2,4,5-triol (PubChem CID 10154192) has the molecular formula C7H14O4 and a molecular weight of 162.18 g/mol. Its IUPAC name is (2S,4R,5S,6S)-4,6-dimethyloxane-2,4,5-triol.

Molecular Properties

Compound Name(2S,4R,5S,6S)-4,6-dimethyloxane-2,4,5-triol
PubChem CID10154192
Molecular FormulaC7H14O4
Molecular Weight162.18 g/mol
Exact Mass162.09
IUPAC Name(2S,4R,5S,6S)-4,6-dimethyloxane-2,4,5-triol
SMILESC[C@@H]1O[C@H](O)C[C@@](C)(O)[C@H]1O
InChIInChI=1S/C7H14O4/c1-4-6(9)7(2,10)3-5(8)11-4/h4-6,8-10H,3H2,1-2H3/t4-,5-,6-,7+/m0/s1
InChIKeyYQLFLCVNXSPEKQ-ZTYPAOSTSA-N
XLogP-0.77
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 ≤ 5-0.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,4R,5S,6S)-4,6-dimethyloxane-2,4,5-triol?
The IUPAC name of (2S,4R,5S,6S)-4,6-dimethyloxane-2,4,5-triol (CID 10154192) is (2S,4R,5S,6S)-4,6-dimethyloxane-2,4,5-triol.
What is the SMILES notation for (2S,4R,5S,6S)-4,6-dimethyloxane-2,4,5-triol?
The canonical SMILES for (2S,4R,5S,6S)-4,6-dimethyloxane-2,4,5-triol is C[C@@H]1O[C@H](O)C[C@@](C)(O)[C@H]1O.
What is the InChIKey of (2S,4R,5S,6S)-4,6-dimethyloxane-2,4,5-triol?
The InChIKey is YQLFLCVNXSPEKQ-ZTYPAOSTSA-N. The full InChI is InChI=1S/C7H14O4/c1-4-6(9)7(2,10)3-5(8)11-4/h4-6,8-10H,3H2,1-2H3/t4-,5-,6-,7+/m0/s1.
What are the key properties of (2S,4R,5S,6S)-4,6-dimethyloxane-2,4,5-triol?
(2S,4R,5S,6S)-4,6-dimethyloxane-2,4,5-triol has a molecular weight of 162.18 g/mol, XLogP of -0.77, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R,5S,6S)-4,6-dimethyloxane-2,4,5-triol is sourced from PubChem (CID 10154192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).