2,3-dihydroxy-2-(hydroxymethyl)-4-oxopentanoic acid

C6H10O6 — CID 154587472

IUPAC2,3-dihydroxy-2-(hydroxymethyl)-4-oxopentanoic acid
SMILESCC(=O)C(O)C(O)(CO)C(=O)O
InChIInChI=1S/C6H10O6/c1-3(8)4(9)6(12,2-7)5(10)11/h4,7,9,12H,2H2,1H3,(H,10,11)
InChIKeyMYMZEWFFTLKWSU-UHFFFAOYSA-N
MW178.14 g/mol
LogP-2.26
Rot. Bonds4

About 2,3-dihydroxy-2-(hydroxymethyl)-4-oxopentanoic acid

2,3-dihydroxy-2-(hydroxymethyl)-4-oxopentanoic acid (PubChem CID 154587472) has the molecular formula C6H10O6 and a molecular weight of 178.14 g/mol. Its IUPAC name is 2,3-dihydroxy-2-(hydroxymethyl)-4-oxopentanoic acid.

Molecular Properties

Compound Name2,3-dihydroxy-2-(hydroxymethyl)-4-oxopentanoic acid
PubChem CID154587472
Molecular FormulaC6H10O6
Molecular Weight178.14 g/mol
Exact Mass178.05
IUPAC Name2,3-dihydroxy-2-(hydroxymethyl)-4-oxopentanoic acid
SMILESCC(=O)C(O)C(O)(CO)C(=O)O
InChIInChI=1S/C6H10O6/c1-3(8)4(9)6(12,2-7)5(10)11/h4,7,9,12H,2H2,1H3,(H,10,11)
InChIKeyMYMZEWFFTLKWSU-UHFFFAOYSA-N
XLogP-2.26
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.14
LogP ≤ 5-2.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

acetic acid;3-(hydroxymethyl)-2,3-dimethylpentane-2,4-diol
CID 162322991
[2,3-dihydroxy-2-(hydroxymethyl)butanoyl] 2,3-dihydroxy-2-(hydroxymethyl)butanoate
CID 141414633
CID 131881947
CID 131881947
3,3-dihydroxy-2-(hydroxymethyl)-2-methylpropanoic acid
CID 141219993
1,1-dihydroxypropan-2-one;bis(2-hydroxyacetic acid)
CID 160783173
acetic acid;propane-1,2,3-triol;propan-2-one
CID 158983887
2-ethyl-3-hydroxy-2-(hydroxymethyl)pentanoic acid
CID 57219693
2,3-diethyl-2-hydroxypentanoic acid
CID 79303581
2,2-diacetyl-3-oxobutanoic acid;propane-1,2,3-triol
CID 158102004
acetic acid;bis(2,2-bis(hydroxymethyl)propane-1,3-diol)
CID 173446571
bis(2-oxopropanoic acid);bis(propane-1,2,3-triol)
CID 175927088
3,4,5,6,7-pentahydroxy-4,5,6-trimethylnonane-2,8-dione
CID 175535268

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-2-(hydroxymethyl)-4-oxopentanoic acid?
The IUPAC name of 2,3-dihydroxy-2-(hydroxymethyl)-4-oxopentanoic acid (CID 154587472) is 2,3-dihydroxy-2-(hydroxymethyl)-4-oxopentanoic acid.
What is the SMILES notation for 2,3-dihydroxy-2-(hydroxymethyl)-4-oxopentanoic acid?
The canonical SMILES for 2,3-dihydroxy-2-(hydroxymethyl)-4-oxopentanoic acid is CC(=O)C(O)C(O)(CO)C(=O)O.
What is the InChIKey of 2,3-dihydroxy-2-(hydroxymethyl)-4-oxopentanoic acid?
The InChIKey is MYMZEWFFTLKWSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O6/c1-3(8)4(9)6(12,2-7)5(10)11/h4,7,9,12H,2H2,1H3,(H,10,11).
What are the key properties of 2,3-dihydroxy-2-(hydroxymethyl)-4-oxopentanoic acid?
2,3-dihydroxy-2-(hydroxymethyl)-4-oxopentanoic acid has a molecular weight of 178.14 g/mol, XLogP of -2.26, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-2-(hydroxymethyl)-4-oxopentanoic acid is sourced from PubChem (CID 154587472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).