2,3-dihydroxypropyl 2-oxopropanoate

C6H10O5 — CID 22168925

IUPAC2,3-dihydroxypropyl 2-oxopropanoate
SMILESCC(=O)C(=O)OCC(O)CO
InChIInChI=1S/C6H10O5/c1-4(8)6(10)11-3-5(9)2-7/h5,7,9H,2-3H2,1H3
InChIKeyHVNARSNPHUTXJX-UHFFFAOYSA-N
MW162.14 g/mol
LogP-1.53
Rot. Bonds4

About 2,3-dihydroxypropyl 2-oxopropanoate

2,3-dihydroxypropyl 2-oxopropanoate (PubChem CID 22168925) has the molecular formula C6H10O5 and a molecular weight of 162.14 g/mol. Its IUPAC name is 2,3-dihydroxypropyl 2-oxopropanoate.

Molecular Properties

Compound Name2,3-dihydroxypropyl 2-oxopropanoate
PubChem CID22168925
Molecular FormulaC6H10O5
Molecular Weight162.14 g/mol
Exact Mass162.05
IUPAC Name2,3-dihydroxypropyl 2-oxopropanoate
SMILESCC(=O)C(=O)OCC(O)CO
InChIInChI=1S/C6H10O5/c1-4(8)6(10)11-3-5(9)2-7/h5,7,9H,2-3H2,1H3
InChIKeyHVNARSNPHUTXJX-UHFFFAOYSA-N
XLogP-1.53
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.14
LogP ≤ 5-1.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxypropyl 2-oxopropanoate?
The IUPAC name of 2,3-dihydroxypropyl 2-oxopropanoate (CID 22168925) is 2,3-dihydroxypropyl 2-oxopropanoate.
What is the SMILES notation for 2,3-dihydroxypropyl 2-oxopropanoate?
The canonical SMILES for 2,3-dihydroxypropyl 2-oxopropanoate is CC(=O)C(=O)OCC(O)CO.
What is the InChIKey of 2,3-dihydroxypropyl 2-oxopropanoate?
The InChIKey is HVNARSNPHUTXJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O5/c1-4(8)6(10)11-3-5(9)2-7/h5,7,9H,2-3H2,1H3.
What are the key properties of 2,3-dihydroxypropyl 2-oxopropanoate?
2,3-dihydroxypropyl 2-oxopropanoate has a molecular weight of 162.14 g/mol, XLogP of -1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxypropyl 2-oxopropanoate is sourced from PubChem (CID 22168925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).