2-hydroxy-2-[hydroxy(methyl)phosphoryl]acetic acid

C3H7O5P — CID 13309452

IUPAC2-hydroxy-2-[hydroxy(methyl)phosphoryl]acetic acid
SMILESCP(=O)(O)C(O)C(=O)O
InChIInChI=1S/C3H7O5P/c1-9(7,8)3(6)2(4)5/h3,6H,1H3,(H,4,5)(H,7,8)
InChIKeyJWLGIVMOTDTVPU-UHFFFAOYSA-N
MW154.06 g/mol
LogP-0.71
Rot. Bonds2

About 2-hydroxy-2-[hydroxy(methyl)phosphoryl]acetic acid

2-hydroxy-2-[hydroxy(methyl)phosphoryl]acetic acid (PubChem CID 13309452) has the molecular formula C3H7O5P and a molecular weight of 154.06 g/mol. Its IUPAC name is 2-hydroxy-2-[hydroxy(methyl)phosphoryl]acetic acid.

Molecular Properties

Compound Name2-hydroxy-2-[hydroxy(methyl)phosphoryl]acetic acid
PubChem CID13309452
Molecular FormulaC3H7O5P
Molecular Weight154.06 g/mol
Exact Mass154.00
IUPAC Name2-hydroxy-2-[hydroxy(methyl)phosphoryl]acetic acid
SMILESCP(=O)(O)C(O)C(=O)O
InChIInChI=1S/C3H7O5P/c1-9(7,8)3(6)2(4)5/h3,6H,1H3,(H,4,5)(H,7,8)
InChIKeyJWLGIVMOTDTVPU-UHFFFAOYSA-N
XLogP-0.71
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.06
LogP ≤ 5-0.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-dimethylphosphinothioyl-2-hydroxyacetic acid
CID 15215662
2-dimethylphosphoryl-2-hydroxyacetamide
CID 13309451
hexacalcium;hydride;2-hydroxypropanoic acid;phosphoric acid
CID 173158214
potassium;dihydrogen phosphate;2-hydroxypropanoic acid
CID 174779739
2-methylprop-2-enoic acid;phosphoric acid;propane-1,2,3-triol
CID 122512063
3-hydroxy-2-methylidenebutanoic acid;phosphoric acid
CID 87204534
aminophosphonic acid;(2R)-2-aminopropanoic acid
CID 118047649
aluminum;2-hydroxypropanoic acid;phosphate
CID 172753326
dipotassium;2,3-dihydroxybutanedioic acid;hydrogen phosphate
CID 158028853
2-hydroxypropanoic acid
CID 87075455
bis(1,1-dihydroxypropan-2-one);phosphoric acid
CID 87667441
acetic acid;boric acid;phosphoric acid
CID 87603832

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-[hydroxy(methyl)phosphoryl]acetic acid?
The IUPAC name of 2-hydroxy-2-[hydroxy(methyl)phosphoryl]acetic acid (CID 13309452) is 2-hydroxy-2-[hydroxy(methyl)phosphoryl]acetic acid.
What is the SMILES notation for 2-hydroxy-2-[hydroxy(methyl)phosphoryl]acetic acid?
The canonical SMILES for 2-hydroxy-2-[hydroxy(methyl)phosphoryl]acetic acid is CP(=O)(O)C(O)C(=O)O.
What is the InChIKey of 2-hydroxy-2-[hydroxy(methyl)phosphoryl]acetic acid?
The InChIKey is JWLGIVMOTDTVPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7O5P/c1-9(7,8)3(6)2(4)5/h3,6H,1H3,(H,4,5)(H,7,8).
What are the key properties of 2-hydroxy-2-[hydroxy(methyl)phosphoryl]acetic acid?
2-hydroxy-2-[hydroxy(methyl)phosphoryl]acetic acid has a molecular weight of 154.06 g/mol, XLogP of -0.71, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-[hydroxy(methyl)phosphoryl]acetic acid is sourced from PubChem (CID 13309452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).