2,3-dihydroxypropanoic acid

C45H90O60 — CID 175601105

IUPAC2,3-dihydroxypropanoic acid
SMILESO=C(O)C(O)CO.O=C(O)C(O)CO.O=C(O)C(O)CO.O=C(O)C(O)CO.O=C(O)C(O)CO.O=C(O)C(O)CO.O=C(O)C(O)CO.O=C(O)C(O)CO.O=C(O)C(O)CO.O=C(O)C(O)CO.O=C(O)C(O)CO.O=C(O)C(O)CO.O=C(O)C(O)CO.O=C(O)C(O)CO.O=C(O)C(O)CO
InChIInChI=1S/15C3H6O4/c15*4-1-2(5)3(6)7/h15*2,4-5H,1H2,(H,6,7)
InChIKeyHVIBKIPSRFQHDZ-UHFFFAOYSA-N
MW1591.16 g/mol
LogP-23.64
Rot. Bonds30

About 2,3-dihydroxypropanoic acid

2,3-dihydroxypropanoic acid (PubChem CID 175601105) has the molecular formula C45H90O60 and a molecular weight of 1591.16 g/mol. Its IUPAC name is 2,3-dihydroxypropanoic acid.

Molecular Properties

Compound Name2,3-dihydroxypropanoic acid
PubChem CID175601105
Molecular FormulaC45H90O60
Molecular Weight1591.16 g/mol
Exact Mass1590.40
IUPAC Name2,3-dihydroxypropanoic acid
SMILESO=C(O)C(O)CO.O=C(O)C(O)CO.O=C(O)C(O)CO.O=C(O)C(O)CO.O=C(O)C(O)CO.O=C(O)C(O)CO.O=C(O)C(O)CO.O=C(O)C(O)CO.O=C(O)C(O)CO.O=C(O)C(O)CO.O=C(O)C(O)CO.O=C(O)C(O)CO.O=C(O)C(O)CO.O=C(O)C(O)CO.O=C(O)C(O)CO
InChIInChI=1S/15C3H6O4/c15*4-1-2(5)3(6)7/h15*2,4-5H,1H2,(H,6,7)
InChIKeyHVIBKIPSRFQHDZ-UHFFFAOYSA-N
XLogP-23.64
TPSA1166.40 Ų
H-Bond Donors45
H-Bond Acceptors45
Rotatable Bonds30
Heavy Atoms105
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001591.16
LogP ≤ 5-23.64
H-Bond Donors ≤ 545
H-Bond Acceptors ≤ 1045

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Related Compounds

tetrakis(2,3-dihydroxypropanoic acid);silane
CID 174191422
alumane;2,3-dihydroxypropanoic acid
CID 173322444
CID 131873477
CID 131873477
CID 158303129
CID 158303129
CID 156591905
CID 156591905
2,3-dihydroxypropanoic acid;2-hydroxyacetic acid
CID 135323776
2,3-dihydroxypropanoic acid;2-oxopropanoic acid
CID 138543895
(Z)-but-2-enedioic acid;bis(2,3-dihydroxypropanoic acid)
CID 162142261
(2S)-2,3-dihydroxypropanoic acid;2,2,2-trifluoroacetic acid
CID 89157010
2,3-dihydroxypropanoic acid;3-hydroxypropanoic acid
CID 87631313
2,2-dihydroxypropanoic acid;(2R)-2,3-dihydroxypropanoic acid
CID 159861269
butanoic acid;2,3-dihydroxypropanoic acid
CID 161118248

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxypropanoic acid?
The IUPAC name of 2,3-dihydroxypropanoic acid (CID 175601105) is 2,3-dihydroxypropanoic acid.
What is the SMILES notation for 2,3-dihydroxypropanoic acid?
The canonical SMILES for 2,3-dihydroxypropanoic acid is O=C(O)C(O)CO.O=C(O)C(O)CO.O=C(O)C(O)CO.O=C(O)C(O)CO.O=C(O)C(O)CO.O=C(O)C(O)CO.O=C(O)C(O)CO.O=C(O)C(O)CO.O=C(O)C(O)CO.O=C(O)C(O)CO.O=C(O)C(O)CO.O=C(O)C(O)CO.O=C(O)C(O)CO.O=C(O)C(O)CO.O=C(O)C(O)CO.
What is the InChIKey of 2,3-dihydroxypropanoic acid?
The InChIKey is HVIBKIPSRFQHDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/15C3H6O4/c15*4-1-2(5)3(6)7/h15*2,4-5H,1H2,(H,6,7).
What are the key properties of 2,3-dihydroxypropanoic acid?
2,3-dihydroxypropanoic acid has a molecular weight of 1591.16 g/mol, XLogP of -23.64, 30 rotatable bonds, 45 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxypropanoic acid is sourced from PubChem (CID 175601105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).