3-hydroxy-2-oxo-3-phosphonooxypropanoic acid

C3H5O8P — CID 11424192

IUPAC3-hydroxy-2-oxo-3-phosphonooxypropanoic acid
SMILESO=C(O)C(=O)C(O)OP(=O)(O)O
InChIInChI=1S/C3H5O8P/c4-1(2(5)6)3(7)11-12(8,9)10/h3,7H,(H,5,6)(H2,8,9,10)
InChIKeyOGIYJXRPEDJJSV-UHFFFAOYSA-N
MW200.04 g/mol
LogP-1.93
Rot. Bonds4

About 3-hydroxy-2-oxo-3-phosphonooxypropanoic acid

3-hydroxy-2-oxo-3-phosphonooxypropanoic acid (PubChem CID 11424192) has the molecular formula C3H5O8P and a molecular weight of 200.04 g/mol. Its IUPAC name is 3-hydroxy-2-oxo-3-phosphonooxypropanoic acid.

Molecular Properties

Compound Name3-hydroxy-2-oxo-3-phosphonooxypropanoic acid
PubChem CID11424192
Molecular FormulaC3H5O8P
Molecular Weight200.04 g/mol
Exact Mass199.97
IUPAC Name3-hydroxy-2-oxo-3-phosphonooxypropanoic acid
SMILESO=C(O)C(=O)C(O)OP(=O)(O)O
InChIInChI=1S/C3H5O8P/c4-1(2(5)6)3(7)11-12(8,9)10/h3,7H,(H,5,6)(H2,8,9,10)
InChIKeyOGIYJXRPEDJJSV-UHFFFAOYSA-N
XLogP-1.93
TPSA141.36 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.04
LogP ≤ 5-1.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

3-hydroxy-2-oxo-4-phosphonooxybutanoic acid
CID 113
1,1-dihydroxypropan-2-yl dihydrogen phosphate
CID 175328416
2-amino-3-phosphonooxybutanoic acid
CID 1016
1-hydroxyethyl dihydrogen phosphate;urea
CID 21118622
(4R,5R)-5,6-dihydroxy-2-oxo-4-phosphonooxyhexanoic acid
CID 154430879
dicalcium;hydride;2-phosphonooxypropanoic acid
CID 174241121
(1,3,4,5,6,7,8-heptahydroxy-2-oxooctyl) dihydrogen phosphate
CID 57055187
1-phosphonooxyethyl dihydrogen phosphate
CID 14930911
[(3S,4S,5S)-6-azido-1,3,4,5,6-pentahydroxy-2-oxohexyl] dihydrogen phosphate
CID 123610918
2-phosphonooxypent-3-enoic acid
CID 154398520
3-[(2-carboxy-2-phosphonooxyethoxy)-hydroxyphosphoryl]oxy-2-phosphonooxypropanoic acid
CID 87534689
4-methyl-2-phosphonooxypentanoic acid
CID 123780215

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-oxo-3-phosphonooxypropanoic acid?
The IUPAC name of 3-hydroxy-2-oxo-3-phosphonooxypropanoic acid (CID 11424192) is 3-hydroxy-2-oxo-3-phosphonooxypropanoic acid.
What is the SMILES notation for 3-hydroxy-2-oxo-3-phosphonooxypropanoic acid?
The canonical SMILES for 3-hydroxy-2-oxo-3-phosphonooxypropanoic acid is O=C(O)C(=O)C(O)OP(=O)(O)O.
What is the InChIKey of 3-hydroxy-2-oxo-3-phosphonooxypropanoic acid?
The InChIKey is OGIYJXRPEDJJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5O8P/c4-1(2(5)6)3(7)11-12(8,9)10/h3,7H,(H,5,6)(H2,8,9,10).
What are the key properties of 3-hydroxy-2-oxo-3-phosphonooxypropanoic acid?
3-hydroxy-2-oxo-3-phosphonooxypropanoic acid has a molecular weight of 200.04 g/mol, XLogP of -1.93, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-oxo-3-phosphonooxypropanoic acid is sourced from PubChem (CID 11424192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).