3,4-dihydroxy-2-(2-hydroxyacetyl)oxybutanoic acid

C6H10O7 — CID 118556174

IUPAC3,4-dihydroxy-2-(2-hydroxyacetyl)oxybutanoic acid
SMILESO=C(CO)OC(C(=O)O)C(O)CO
InChIInChI=1S/C6H10O7/c7-1-3(9)5(6(11)12)13-4(10)2-8/h3,5,7-9H,1-2H2,(H,11,12)
InChIKeyVSNPYUGROFRPQH-UHFFFAOYSA-N
MW194.14 g/mol
LogP-2.67
Rot. Bonds5

About 3,4-dihydroxy-2-(2-hydroxyacetyl)oxybutanoic acid

3,4-dihydroxy-2-(2-hydroxyacetyl)oxybutanoic acid (PubChem CID 118556174) has the molecular formula C6H10O7 and a molecular weight of 194.14 g/mol. Its IUPAC name is 3,4-dihydroxy-2-(2-hydroxyacetyl)oxybutanoic acid.

Molecular Properties

Compound Name3,4-dihydroxy-2-(2-hydroxyacetyl)oxybutanoic acid
PubChem CID118556174
Molecular FormulaC6H10O7
Molecular Weight194.14 g/mol
Exact Mass194.04
IUPAC Name3,4-dihydroxy-2-(2-hydroxyacetyl)oxybutanoic acid
SMILESO=C(CO)OC(C(=O)O)C(O)CO
InChIInChI=1S/C6H10O7/c7-1-3(9)5(6(11)12)13-4(10)2-8/h3,5,7-9H,1-2H2,(H,11,12)
InChIKeyVSNPYUGROFRPQH-UHFFFAOYSA-N
XLogP-2.67
TPSA124.29 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.14
LogP ≤ 5-2.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

3,4-dihydroxy-2-[(1R)-1-hydroxyethoxy]butanoic acid
CID 122551455
(2R,3R,4R)-3,4,5-trihydroxy-2-[(2S,3R)-2,3,4-trihydroxybutanoyl]oxypentanoic acid
CID 90765048
(2R,3S,4R,5R)-2-acetyloxy-3,4,5,6-tetrahydroxyhexanoic acid
CID 25051954
(2R,3S,4R,5R)-2-(5-carboxy-3-oxopentanoyl)oxy-3,4,5,6-tetrahydroxyhexanoic acid
CID 91192221
2-[2-(1,2-dicarboxy-2-hydroxyethoxy)-2-oxoethoxy]-3-hydroxybutanedioic acid
CID 87640479
[(2R,3R)-1,3-dihydroxybutan-2-yl] 2-hydroxyacetate
CID 89488956
(2R,3S,4S,5R)-3,4,5,6-tetrahydroxy-2-(2-oxobutanoyloxy)hexanoic acid
CID 87562113
(2R,3S)-2,3,4-trihydroxybutanoic acid;hydrochloride
CID 162317109
pentakis((2S,3R)-butane-1,2,3,4-tetrol);bis((Z)-but-2-enedioic acid)
CID 157481940
2,4,5,6-tetrahydroxy-3-oxohexanoic acid
CID 95
(2R,3S,4S,5R)-2-(2-aminobutanoyloxy)-3,4,5,6-tetrahydroxyhexanoic acid
CID 87662117
(2R,3R)-2,3-di(dodecanoyloxy)-4-oxo-4-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexoxy]butanoic acid
CID 46927640

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydroxy-2-(2-hydroxyacetyl)oxybutanoic acid?
The IUPAC name of 3,4-dihydroxy-2-(2-hydroxyacetyl)oxybutanoic acid (CID 118556174) is 3,4-dihydroxy-2-(2-hydroxyacetyl)oxybutanoic acid.
What is the SMILES notation for 3,4-dihydroxy-2-(2-hydroxyacetyl)oxybutanoic acid?
The canonical SMILES for 3,4-dihydroxy-2-(2-hydroxyacetyl)oxybutanoic acid is O=C(CO)OC(C(=O)O)C(O)CO.
What is the InChIKey of 3,4-dihydroxy-2-(2-hydroxyacetyl)oxybutanoic acid?
The InChIKey is VSNPYUGROFRPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O7/c7-1-3(9)5(6(11)12)13-4(10)2-8/h3,5,7-9H,1-2H2,(H,11,12).
What are the key properties of 3,4-dihydroxy-2-(2-hydroxyacetyl)oxybutanoic acid?
3,4-dihydroxy-2-(2-hydroxyacetyl)oxybutanoic acid has a molecular weight of 194.14 g/mol, XLogP of -2.67, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydroxy-2-(2-hydroxyacetyl)oxybutanoic acid is sourced from PubChem (CID 118556174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).