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Methylenediphosphonic acid

CAT: 0127-OR10789-01Size: 1 gDry Ice: NoHazardous: No
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CAS Number
1984-15-2
Synonyms
Medronic acid, Methanediylbis (phosphonic acid)
MDL Number
MFCD00002139
Purity
96%
Smiles
OP(=O)(O)CP(=O)(O)O
Storage Conditions
Store at -20°C

Chemical Information

Medronic Acid

Medronic acid is a 1,1-bis(phosphonic acid) consisting of methane substituted by two phosphonic acid groups. It has a role as a chelator and a bone density conservation agent.

CAS Number1984-15-2
PubChem CID16124
IUPAC Namephosphonomethylphosphonic acid
Molecular FormulaCH6O6P2
Molecular Weight176.00
XLogP-3.3
Topological Polar Surface Area115
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count9
Formal Charge0
Complexity151
SMILES
C(P(=O)(O)O)P(=O)(O)O
InChI
InChI=1S/CH6O6P2/c2-8(3,4)1-9(5,6)7/h1H2,(H2,2,3,4)(H2,5,6,7)
InChIKey
MBKDYNNUVRNNRF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Medronic Acid
CAS: 1984-15-2
CID: 16124
Formula: CH6O6P2
MW: 176.00
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight176.00
XLogP3-3.3
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass175.96396190
Monoisotopic Mass175.96396190
Topological Polar Surface Area115 Ų
Heavy Atom Count9
Formal Charge0
Complexity151
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

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