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

C7H14O4 — CID 130831745

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

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

(2R,4R,5R,6S)-5,6-dimethyloxane-2,4,5-triol (PubChem CID 130831745) has the molecular formula C7H14O4 and a molecular weight of 162.18 g/mol. Its IUPAC name is (2R,4R,5R,6S)-5,6-dimethyloxane-2,4,5-triol.

Molecular Properties

Compound Name(2R,4R,5R,6S)-5,6-dimethyloxane-2,4,5-triol
PubChem CID130831745
Molecular FormulaC7H14O4
Molecular Weight162.18 g/mol
Exact Mass162.09
IUPAC Name(2R,4R,5R,6S)-5,6-dimethyloxane-2,4,5-triol
SMILESC[C@@H]1O[C@@H](O)C[C@@H](O)[C@@]1(C)O
InChIInChI=1S/C7H14O4/c1-4-7(2,10)5(8)3-6(9)11-4/h4-6,8-10H,3H2,1-2H3/t4-,5+,6+,7-/m0/s1
InChIKeyZPALMHNPRGKFRY-WNJXEPBRSA-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 (2R,4R,5R,6S)-5,6-dimethyloxane-2,4,5-triol?
The IUPAC name of (2R,4R,5R,6S)-5,6-dimethyloxane-2,4,5-triol (CID 130831745) is (2R,4R,5R,6S)-5,6-dimethyloxane-2,4,5-triol.
What is the SMILES notation for (2R,4R,5R,6S)-5,6-dimethyloxane-2,4,5-triol?
The canonical SMILES for (2R,4R,5R,6S)-5,6-dimethyloxane-2,4,5-triol is C[C@@H]1O[C@@H](O)C[C@@H](O)[C@@]1(C)O.
What is the InChIKey of (2R,4R,5R,6S)-5,6-dimethyloxane-2,4,5-triol?
The InChIKey is ZPALMHNPRGKFRY-WNJXEPBRSA-N. The full InChI is InChI=1S/C7H14O4/c1-4-7(2,10)5(8)3-6(9)11-4/h4-6,8-10H,3H2,1-2H3/t4-,5+,6+,7-/m0/s1.
What are the key properties of (2R,4R,5R,6S)-5,6-dimethyloxane-2,4,5-triol?
(2R,4R,5R,6S)-5,6-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 (2R,4R,5R,6S)-5,6-dimethyloxane-2,4,5-triol is sourced from PubChem (CID 130831745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).