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Creatine Phosphate Disodium Salt

CAT: 1596-AR-C08413-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-C08413-01Size:10 Units
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CAS Number
922-32-7
Synonyms
Sodium (N- (carboxymethyl) -N-methylcarbamimidoyl) phosphoramidate
Molecular Formula
C4H8N3O5P. 2Na
Molecular Weight
209.10 2 22.99
API Name
Creatine

Chemical Information

Creatine phosphate disodium salt

See also: Phosphocreatine sodium (preferred).

CAS Number922-32-7
PubChem CID71588
IUPAC Namedisodium;2-[methyl-(N'-phosphonatocarbamimidoyl)amino]acetic acid
Molecular FormulaC4H8N3Na2O5P
Molecular Weight255.08
Topological Polar Surface Area142
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count15
Formal Charge0
Complexity259
SMILES
CN(CC(=O)O)C(=NP(=O)([O-])[O-])N.[Na+].[Na+]
InChI
InChI=1S/C4H10N3O5P.2Na/c1-7(2-3(8)9)4(5)6-13(10,11)12;;/h2H2,1H3,(H,8,9)(H4,5,6,10,11,12);;/q;2*+1/p-2
InChIKey
RNTXMYSPASRLFT-UHFFFAOYSA-L
Chemical Structure
2D Structure
2D structure of Creatine phosphate disodium salt
CAS: 922-32-7
CID: 71588
Formula: C4H8N3Na2O5P
MW: 255.08
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight255.08
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass254.99969593
Monoisotopic Mass254.99969593
Topological Polar Surface Area142 Ų
Heavy Atom Count15
Formal Charge0
Complexity259
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count1
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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