Phosphocreatine

C4H10N3O5PCAS 67-07-2211.11 g/mol

Open in Covalent MOL file
NOHONHNHPOOHOH
Carboxylic acidGuanidine

Properties

Molecular formula
C4H10N3O5P
Molar mass
211.11 g/mol
Exact mass
211.0358 Da
Melting point
194–195 °C
logP
-1.38Crippen estimate
Polar surface area
133.9 Ų
H-bond donors / acceptors
5 / 3
Rotatable bonds
3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
67-07-2
SMILES
CN(CC(=O)O)C(=N)NP(=O)(O)O
InChIKey
DRBBFCLWYRJSJZ-UHFFFAOYSA-N
InChI
InChI=1S/C4H10N3O5P/c1-7(2-3(8)9)4(5)6-13(10,11)12/h2H2,1H3,(H,8,9)(H4,5,6,10,11,12)

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Names and synonyms

10 names
  • Glycine, N-[imino(phosphonoamino)methyl]-N-methyl-
  • Sarcosine, N-(phosphonoamidino)-
  • N-[Imino(phosphonoamino)methyl]-N-methylglycine
  • Creatinephosphoric acid
  • Phosphorylcreatine
  • N-Phosphorylcreatine
  • Creatine phosphate
  • N-(Phosphonoamidino)sarcosine
  • N-Phosphorocreatine
  • 2-(1-Methyl-3-phosphonoguanidino)acetic acid

Work with Phosphocreatine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Disodium creatine phosphate922-32-7Salt

Similar compounds

Creatine57-00-149 % similar Creatine hcl17050-09-845 % similar Creatine monohydrate6020-87-745 % similar Glycylsarcosine29816-01-141 % similar Lauroylsarcosine97-78-940 % similar Creatine pyruvate55965-97-440 % similar Dimethylglycine1118-68-939 % similar Methyliminodiacetic acid4408-64-439 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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