(2R,4S)-2-methylpentane-1,2,4,5-tetrol

C6H14O4 — CID 54145508

IUPAC(2R,4S)-2-methylpentane-1,2,4,5-tetrol
SMILESC[C@](O)(CO)C[C@H](O)CO
InChIInChI=1S/C6H14O4/c1-6(10,4-8)2-5(9)3-7/h5,7-10H,2-4H2,1H3/t5-,6+/m0/s1
InChIKeyOECFSRDCTXEYJO-NTSWFWBYSA-N
MW150.17 g/mol
LogP-1.53
Rot. Bonds4

About (2R,4S)-2-methylpentane-1,2,4,5-tetrol

(2R,4S)-2-methylpentane-1,2,4,5-tetrol (PubChem CID 54145508) has the molecular formula C6H14O4 and a molecular weight of 150.17 g/mol. Its IUPAC name is (2R,4S)-2-methylpentane-1,2,4,5-tetrol.

Molecular Properties

Compound Name(2R,4S)-2-methylpentane-1,2,4,5-tetrol
PubChem CID54145508
Molecular FormulaC6H14O4
Molecular Weight150.17 g/mol
Exact Mass150.09
IUPAC Name(2R,4S)-2-methylpentane-1,2,4,5-tetrol
SMILESC[C@](O)(CO)C[C@H](O)CO
InChIInChI=1S/C6H14O4/c1-6(10,4-8)2-5(9)3-7/h5,7-10H,2-4H2,1H3/t5-,6+/m0/s1
InChIKeyOECFSRDCTXEYJO-NTSWFWBYSA-N
XLogP-1.53
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.17
LogP ≤ 5-1.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,4S)-2-methylpentane-1,2,4,5-tetrol?
The IUPAC name of (2R,4S)-2-methylpentane-1,2,4,5-tetrol (CID 54145508) is (2R,4S)-2-methylpentane-1,2,4,5-tetrol.
What is the SMILES notation for (2R,4S)-2-methylpentane-1,2,4,5-tetrol?
The canonical SMILES for (2R,4S)-2-methylpentane-1,2,4,5-tetrol is C[C@](O)(CO)C[C@H](O)CO.
What is the InChIKey of (2R,4S)-2-methylpentane-1,2,4,5-tetrol?
The InChIKey is OECFSRDCTXEYJO-NTSWFWBYSA-N. The full InChI is InChI=1S/C6H14O4/c1-6(10,4-8)2-5(9)3-7/h5,7-10H,2-4H2,1H3/t5-,6+/m0/s1.
What are the key properties of (2R,4S)-2-methylpentane-1,2,4,5-tetrol?
(2R,4S)-2-methylpentane-1,2,4,5-tetrol has a molecular weight of 150.17 g/mol, XLogP of -1.53, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-2-methylpentane-1,2,4,5-tetrol is sourced from PubChem (CID 54145508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).