2,2-dihydroxy-2-phosphanylacetic acid

C2H5O4P — CID 174853171

IUPAC2,2-dihydroxy-2-phosphanylacetic acid
SMILESO=C(O)C(O)(O)P
InChIInChI=1S/C2H5O4P/c3-1(4)2(5,6)7/h5-6H,7H2,(H,3,4)
InChIKeyDEAFWRUGZNRAQD-UHFFFAOYSA-N
MW124.03 g/mol
LogP-1.42
Rot. Bonds1

About 2,2-dihydroxy-2-phosphanylacetic acid

2,2-dihydroxy-2-phosphanylacetic acid (PubChem CID 174853171) has the molecular formula C2H5O4P and a molecular weight of 124.03 g/mol. Its IUPAC name is 2,2-dihydroxy-2-phosphanylacetic acid.

Molecular Properties

Compound Name2,2-dihydroxy-2-phosphanylacetic acid
PubChem CID174853171
Molecular FormulaC2H5O4P
Molecular Weight124.03 g/mol
Exact Mass123.99
IUPAC Name2,2-dihydroxy-2-phosphanylacetic acid
SMILESO=C(O)C(O)(O)P
InChIInChI=1S/C2H5O4P/c3-1(4)2(5,6)7/h5-6H,7H2,(H,3,4)
InChIKeyDEAFWRUGZNRAQD-UHFFFAOYSA-N
XLogP-1.42
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.03
LogP ≤ 5-1.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-2-phosphanylpropanoic acid;trihydrate
CID 160969788
2-hydroxy-2-(113C)methyl(1,2,3-13C3)propanoic acid
CID 71309334
2,2-difluoropropanedioic acid
CID 10130002
sodium;2,2-dihydroxypropanedioic acid;hydride
CID 3084548
2-bromo-2-hydroxypropanoic acid
CID 88707429
2,2-dimethylpropanoic acid
CID 87781698
carbonic acid;2-methylpropan-2-ol
CID 87955021
carbonic acid;oxoniobium
CID 174225795
(2S,3S)-2,3-ditert-butyl-2,3-dihydroxybutanedioic acid
CID 151227491
2-amino-2,3,3,3-tetrahydroxypropanoic acid
CID 138667990
2,2,3-trifluoro-3-oxopropanoic acid
CID 57488659
3,3,3-trichloro-2,2-dihydroxypropanoic acid
CID 2723815

Frequently Asked Questions

What is the IUPAC name of 2,2-dihydroxy-2-phosphanylacetic acid?
The IUPAC name of 2,2-dihydroxy-2-phosphanylacetic acid (CID 174853171) is 2,2-dihydroxy-2-phosphanylacetic acid.
What is the SMILES notation for 2,2-dihydroxy-2-phosphanylacetic acid?
The canonical SMILES for 2,2-dihydroxy-2-phosphanylacetic acid is O=C(O)C(O)(O)P.
What is the InChIKey of 2,2-dihydroxy-2-phosphanylacetic acid?
The InChIKey is DEAFWRUGZNRAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5O4P/c3-1(4)2(5,6)7/h5-6H,7H2,(H,3,4).
What are the key properties of 2,2-dihydroxy-2-phosphanylacetic acid?
2,2-dihydroxy-2-phosphanylacetic acid has a molecular weight of 124.03 g/mol, XLogP of -1.42, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dihydroxy-2-phosphanylacetic acid is sourced from PubChem (CID 174853171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).