phosphono 2-hydroxyacetate

C2H5O6P — CID 22320969

IUPACphosphono 2-hydroxyacetate
SMILESO=C(CO)OP(=O)(O)O
InChIInChI=1S/C2H5O6P/c3-1-2(4)8-9(5,6)7/h3H,1H2,(H2,5,6,7)
InChIKeyORIWKRWCIWZHKP-UHFFFAOYSA-N
MW156.03 g/mol
LogP-1.39
Rot. Bonds2

About phosphono 2-hydroxyacetate

phosphono 2-hydroxyacetate (PubChem CID 22320969) has the molecular formula C2H5O6P and a molecular weight of 156.03 g/mol. Its IUPAC name is phosphono 2-hydroxyacetate.

Molecular Properties

Compound Namephosphono 2-hydroxyacetate
PubChem CID22320969
Molecular FormulaC2H5O6P
Molecular Weight156.03 g/mol
Exact Mass155.98
IUPAC Namephosphono 2-hydroxyacetate
SMILESO=C(CO)OP(=O)(O)O
InChIInChI=1S/C2H5O6P/c3-1-2(4)8-9(5,6)7/h3H,1H2,(H2,5,6,7)
InChIKeyORIWKRWCIWZHKP-UHFFFAOYSA-N
XLogP-1.39
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.03
LogP ≤ 5-1.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of phosphono 2-hydroxyacetate?
The IUPAC name of phosphono 2-hydroxyacetate (CID 22320969) is phosphono 2-hydroxyacetate.
What is the SMILES notation for phosphono 2-hydroxyacetate?
The canonical SMILES for phosphono 2-hydroxyacetate is O=C(CO)OP(=O)(O)O.
What is the InChIKey of phosphono 2-hydroxyacetate?
The InChIKey is ORIWKRWCIWZHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5O6P/c3-1-2(4)8-9(5,6)7/h3H,1H2,(H2,5,6,7).
What are the key properties of phosphono 2-hydroxyacetate?
phosphono 2-hydroxyacetate has a molecular weight of 156.03 g/mol, XLogP of -1.39, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phosphono 2-hydroxyacetate is sourced from PubChem (CID 22320969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).