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Phosphonomethanol

CAT: 0024-sc-477559Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-477559Size:100 mg
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CAS Number
2617-47-2

Chemical Information

(Hydroxymethyl)phosphonic acid

Hydroxymethylphosphonic acid is a phosphonic acid having a hydroxymethyl group attached to the phosphorus. It has a role as an EC 3.11.1.3 (phosphonopyruvate hydrolase) inhibitor. It is a member of phosphonic acids and a one-carbon compound. It is functionally related to a phosphonic acid. It is a conjugate acid of a hydroxymethylphosphonate(1-).

CAS Number2617-47-2
PubChem CID75795
IUPAC Namehydroxymethylphosphonic acid
Molecular FormulaCH5O4P
Molecular Weight112.02
XLogP-2.2
Topological Polar Surface Area77.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count6
Formal Charge0
Complexity71
SMILES
C(O)P(=O)(O)O
InChI
InChI=1S/CH5O4P/c2-1-6(3,4)5/h2H,1H2,(H2,3,4,5)
InChIKey
GTTBQSNGUYHPNK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (Hydroxymethyl)phosphonic acid
CAS: 2617-47-2
CID: 75795
Formula: CH5O4P
MW: 112.02
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight112.02
XLogP3-2.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass111.99254563
Monoisotopic Mass111.99254563
Topological Polar Surface Area77.8 Ų
Heavy Atom Count6
Formal Charge0
Complexity71.6
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
TRC-P353850-1GPhosphonomethanol
165936Phosphonomethanol-d2

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