2-hydroxy-2-phosphonoacetate

C2H4O6P- — CID 23615312

IUPAC2-hydroxy-2-phosphonoacetate
SMILESO=C([O-])C(O)P(=O)(O)O
InChIInChI=1S/C2H5O6P/c3-1(4)2(5)9(6,7)8/h2,5H,(H,3,4)(H2,6,7,8)/p-1
InChIKeyUTCHNZLBVKHYKC-UHFFFAOYSA-M
MW155.02 g/mol
LogP-2.77
Rot. Bonds2

About 2-hydroxy-2-phosphonoacetate

2-hydroxy-2-phosphonoacetate (PubChem CID 23615312) has the molecular formula C2H4O6P- and a molecular weight of 155.02 g/mol. Its IUPAC name is 2-hydroxy-2-phosphonoacetate.

Molecular Properties

Compound Name2-hydroxy-2-phosphonoacetate
PubChem CID23615312
Molecular FormulaC2H4O6P-
Molecular Weight155.02 g/mol
Exact Mass154.98
IUPAC Name2-hydroxy-2-phosphonoacetate
SMILESO=C([O-])C(O)P(=O)(O)O
InChIInChI=1S/C2H5O6P/c3-1(4)2(5)9(6,7)8/h2,5H,(H,3,4)(H2,6,7,8)/p-1
InChIKeyUTCHNZLBVKHYKC-UHFFFAOYSA-M
XLogP-2.77
TPSA117.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.02
LogP ≤ 5-2.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

trisodium;2-hydroxy-2-phosphonatoacetate
CID 13034655
(1,5-dihydroxy-2,3,4-trioxo-5-phosphonopentyl)phosphonic acid
CID 91125864
(E)-4-hydroxy-2-[hydroxy(phosphono)methyl]-4-oxobut-2-enoate
CID 170514960
2-amino-4-phosphonobutanoate
CID 22605174
2-amino-3-hydroxy-4-phosphonooxybutanoate
CID 1006
dihydroxymethylphosphonic acid
CID 13034651
dipotassium;[hydroxy(phosphonato)methyl]phosphonic acid
CID 155666645
hydroxylamine;phosphoric acid
CID 160630292
zinc 2-phosphonobutanedioate
CID 161140097
2-dimethylphosphoryl-2-hydroxyacetamide
CID 13309451
dipotassium;2,3-dihydroxybutanedioic acid;hydrogen phosphate
CID 158028853
phosphoric acid;zirconium(4+);dicarbonate
CID 174847896

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-phosphonoacetate?
The IUPAC name of 2-hydroxy-2-phosphonoacetate (CID 23615312) is 2-hydroxy-2-phosphonoacetate.
What is the SMILES notation for 2-hydroxy-2-phosphonoacetate?
The canonical SMILES for 2-hydroxy-2-phosphonoacetate is O=C([O-])C(O)P(=O)(O)O.
What is the InChIKey of 2-hydroxy-2-phosphonoacetate?
The InChIKey is UTCHNZLBVKHYKC-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H5O6P/c3-1(4)2(5)9(6,7)8/h2,5H,(H,3,4)(H2,6,7,8)/p-1.
What are the key properties of 2-hydroxy-2-phosphonoacetate?
2-hydroxy-2-phosphonoacetate has a molecular weight of 155.02 g/mol, XLogP of -2.77, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-phosphonoacetate is sourced from PubChem (CID 23615312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).