2,3-dihydroxy-4-(2-hydroxypropanoyloxy)-4-oxobutanoic acid

C7H10O8 — CID 88640812

IUPAC2,3-dihydroxy-4-(2-hydroxypropanoyloxy)-4-oxobutanoic acid
SMILESCC(O)C(=O)OC(=O)C(O)C(O)C(=O)O
InChIInChI=1S/C7H10O8/c1-2(8)6(13)15-7(14)4(10)3(9)5(11)12/h2-4,8-10H,1H3,(H,11,12)
InChIKeyKSXSAGWFZNPFAS-UHFFFAOYSA-N
MW222.15 g/mol
LogP-2.76
Rot. Bonds4

About 2,3-dihydroxy-4-(2-hydroxypropanoyloxy)-4-oxobutanoic acid

2,3-dihydroxy-4-(2-hydroxypropanoyloxy)-4-oxobutanoic acid (PubChem CID 88640812) has the molecular formula C7H10O8 and a molecular weight of 222.15 g/mol. Its IUPAC name is 2,3-dihydroxy-4-(2-hydroxypropanoyloxy)-4-oxobutanoic acid.

Molecular Properties

Compound Name2,3-dihydroxy-4-(2-hydroxypropanoyloxy)-4-oxobutanoic acid
PubChem CID88640812
Molecular FormulaC7H10O8
Molecular Weight222.15 g/mol
Exact Mass222.04
IUPAC Name2,3-dihydroxy-4-(2-hydroxypropanoyloxy)-4-oxobutanoic acid
SMILESCC(O)C(=O)OC(=O)C(O)C(O)C(=O)O
InChIInChI=1S/C7H10O8/c1-2(8)6(13)15-7(14)4(10)3(9)5(11)12/h2-4,8-10H,1H3,(H,11,12)
InChIKeyKSXSAGWFZNPFAS-UHFFFAOYSA-N
XLogP-2.76
TPSA141.36 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.15
LogP ≤ 5-2.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

4-acetyloxy-2,3-dihydroxy-4-oxobutanoic acid;hydrate
CID 174347069
2,3-dihydroxy-4-(3-methylbut-2-en-2-yloxy)-4-oxobutanoic acid
CID 174880764
calcium;alumane;hydride;2-hydroxypropanoyl 2-hydroxypropanoate
CID 173336900
calcium;carboxy 2-hydroxypropanoate;hydride
CID 174466571
2,3-dihydroxybutanedioic acid;bis(1-methoxyethanamine)
CID 174560140
4-[4-(3-carboxy-2,3-dihydroxypropanoyl)oxy-4-oxobutanoyl]oxy-2,3-dihydroxy-4-oxobutanoic acid;zinc
CID 174484523
(2R,3R)-4-aminooxy-2,3-dihydroxy-4-oxobutanoic acid
CID 89355402
octasodium;4-[4-(3-carboxy-2,3-dihydroxypropanoyl)oxy-4-oxobutanoyl]oxy-2,3-dihydroxy-4-oxobutanoic acid;hydride
CID 173234889
4-arsanyloxy-2,3-dihydroxy-4-oxobutanoic acid
CID 173073115
(2R,3R)-2,3-dihydroxy-4-(3-methylbutoxy)-4-oxobutanoic acid
CID 141434844
(2S)-2-amino-5-(2-hydroxypropanoyloxy)-5-oxopentanoic acid;chromium
CID 174924708
CID 88745910
CID 88745910

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-4-(2-hydroxypropanoyloxy)-4-oxobutanoic acid?
The IUPAC name of 2,3-dihydroxy-4-(2-hydroxypropanoyloxy)-4-oxobutanoic acid (CID 88640812) is 2,3-dihydroxy-4-(2-hydroxypropanoyloxy)-4-oxobutanoic acid.
What is the SMILES notation for 2,3-dihydroxy-4-(2-hydroxypropanoyloxy)-4-oxobutanoic acid?
The canonical SMILES for 2,3-dihydroxy-4-(2-hydroxypropanoyloxy)-4-oxobutanoic acid is CC(O)C(=O)OC(=O)C(O)C(O)C(=O)O.
What is the InChIKey of 2,3-dihydroxy-4-(2-hydroxypropanoyloxy)-4-oxobutanoic acid?
The InChIKey is KSXSAGWFZNPFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O8/c1-2(8)6(13)15-7(14)4(10)3(9)5(11)12/h2-4,8-10H,1H3,(H,11,12).
What are the key properties of 2,3-dihydroxy-4-(2-hydroxypropanoyloxy)-4-oxobutanoic acid?
2,3-dihydroxy-4-(2-hydroxypropanoyloxy)-4-oxobutanoic acid has a molecular weight of 222.15 g/mol, XLogP of -2.76, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-4-(2-hydroxypropanoyloxy)-4-oxobutanoic acid is sourced from PubChem (CID 88640812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).