2-hydroxypropanoyl 2,3-dihydroxypropanoate

C6H10O6 — CID 21117083

IUPAC2-hydroxypropanoyl 2,3-dihydroxypropanoate
SMILESCC(O)C(=O)OC(=O)C(O)CO
InChIInChI=1S/C6H10O6/c1-3(8)5(10)12-6(11)4(9)2-7/h3-4,7-9H,2H2,1H3
InChIKeyPAQKDJFUYKNCJP-UHFFFAOYSA-N
MW178.14 g/mol
LogP-2.21
Rot. Bonds3

About 2-hydroxypropanoyl 2,3-dihydroxypropanoate

2-hydroxypropanoyl 2,3-dihydroxypropanoate (PubChem CID 21117083) has the molecular formula C6H10O6 and a molecular weight of 178.14 g/mol. Its IUPAC name is 2-hydroxypropanoyl 2,3-dihydroxypropanoate.

Molecular Properties

Compound Name2-hydroxypropanoyl 2,3-dihydroxypropanoate
PubChem CID21117083
Molecular FormulaC6H10O6
Molecular Weight178.14 g/mol
Exact Mass178.05
IUPAC Name2-hydroxypropanoyl 2,3-dihydroxypropanoate
SMILESCC(O)C(=O)OC(=O)C(O)CO
InChIInChI=1S/C6H10O6/c1-3(8)5(10)12-6(11)4(9)2-7/h3-4,7-9H,2H2,1H3
InChIKeyPAQKDJFUYKNCJP-UHFFFAOYSA-N
XLogP-2.21
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.14
LogP ≤ 5-2.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxypropanoyl 2,3-dihydroxypropanoate?
The IUPAC name of 2-hydroxypropanoyl 2,3-dihydroxypropanoate (CID 21117083) is 2-hydroxypropanoyl 2,3-dihydroxypropanoate.
What is the SMILES notation for 2-hydroxypropanoyl 2,3-dihydroxypropanoate?
The canonical SMILES for 2-hydroxypropanoyl 2,3-dihydroxypropanoate is CC(O)C(=O)OC(=O)C(O)CO.
What is the InChIKey of 2-hydroxypropanoyl 2,3-dihydroxypropanoate?
The InChIKey is PAQKDJFUYKNCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O6/c1-3(8)5(10)12-6(11)4(9)2-7/h3-4,7-9H,2H2,1H3.
What are the key properties of 2-hydroxypropanoyl 2,3-dihydroxypropanoate?
2-hydroxypropanoyl 2,3-dihydroxypropanoate has a molecular weight of 178.14 g/mol, XLogP of -2.21, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxypropanoyl 2,3-dihydroxypropanoate is sourced from PubChem (CID 21117083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).