2,4,5-trihydroxy-2-methylpentanoic acid

C6H12O5 — CID 87080116

IUPAC2,4,5-trihydroxy-2-methylpentanoic acid
SMILESCC(O)(CC(O)CO)C(=O)O
InChIInChI=1S/C6H12O5/c1-6(11,5(9)10)2-4(8)3-7/h4,7-8,11H,2-3H2,1H3,(H,9,10)
InChIKeyRFSDMKGKXCVVLT-UHFFFAOYSA-N
MW164.16 g/mol
LogP-1.43
Rot. Bonds4

About 2,4,5-trihydroxy-2-methylpentanoic acid

2,4,5-trihydroxy-2-methylpentanoic acid (PubChem CID 87080116) has the molecular formula C6H12O5 and a molecular weight of 164.16 g/mol. Its IUPAC name is 2,4,5-trihydroxy-2-methylpentanoic acid.

Molecular Properties

Compound Name2,4,5-trihydroxy-2-methylpentanoic acid
PubChem CID87080116
Molecular FormulaC6H12O5
Molecular Weight164.16 g/mol
Exact Mass164.07
IUPAC Name2,4,5-trihydroxy-2-methylpentanoic acid
SMILESCC(O)(CC(O)CO)C(=O)O
InChIInChI=1S/C6H12O5/c1-6(11,5(9)10)2-4(8)3-7/h4,7-8,11H,2-3H2,1H3,(H,9,10)
InChIKeyRFSDMKGKXCVVLT-UHFFFAOYSA-N
XLogP-1.43
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 5-1.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-dihydroxypropyl)-2,3,4,5,6-pentahydroxy-3-methylhexanoic acid
CID 175152462
(2R,4S)-2-methylpentane-1,2,4,5-tetrol
CID 54145508
2-hydroxy-2-methylbutanoic acid;propan-2-ol
CID 87318263
decanoic acid;4,4-dimethylpentane-1,2-diol
CID 162197076
4,4-dimethylpentane-1,2-diol;2-methylbut-2-enoic acid
CID 174827470
carbonic acid;2-hydroxypropanoic acid;propane-1,2,3-triol
CID 157221053
4-iodo-4-methylpentane-1,2-diol
CID 174775922
2,2-dihydroxypropanoic acid;(2R)-2,3-dihydroxypropanoic acid
CID 159861269
2,4-dimethylpentane-2,3,4-triol;propane-1,2,3-triol
CID 161347790
acetic acid;propane-1,2,3-triol;propan-2-one
CID 158983887
zinc;bis(2-hydroxypropanoate);propane-1,2,3-triol
CID 158465195
(2R)-2-hydroxy-2-methyl-4-oxopentanedioic acid
CID 45479582

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trihydroxy-2-methylpentanoic acid?
The IUPAC name of 2,4,5-trihydroxy-2-methylpentanoic acid (CID 87080116) is 2,4,5-trihydroxy-2-methylpentanoic acid.
What is the SMILES notation for 2,4,5-trihydroxy-2-methylpentanoic acid?
The canonical SMILES for 2,4,5-trihydroxy-2-methylpentanoic acid is CC(O)(CC(O)CO)C(=O)O.
What is the InChIKey of 2,4,5-trihydroxy-2-methylpentanoic acid?
The InChIKey is RFSDMKGKXCVVLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O5/c1-6(11,5(9)10)2-4(8)3-7/h4,7-8,11H,2-3H2,1H3,(H,9,10).
What are the key properties of 2,4,5-trihydroxy-2-methylpentanoic acid?
2,4,5-trihydroxy-2-methylpentanoic acid has a molecular weight of 164.16 g/mol, XLogP of -1.43, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trihydroxy-2-methylpentanoic acid is sourced from PubChem (CID 87080116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).