Creatine phosphate disodium salt hexahydrate

C₄H₁₆N₃Na₂O₉PCAS 19333-65-4327.14 g/mol

Open in Covalent MOL file

Carboxylic acid Guanidine

Properties

Molecular formula: C₄H₁₆N₃Na₂O₉P
Molar mass: 327.14 g/mol
Exact mass: 327.0420 Da
logP: -12.14Crippen estimate
Polar surface area: 268.1 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 3

Hazards

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

Identifiers

CAS number

19333-65-4

SMILES

CN(CC(=O)O)C(=NP(=O)([O-])[O-])N.O.O.O.O.[Na+].[Na+]

InChIKey

HUWYWJSJJDCZRQ-UHFFFAOYSA-L

InChI

InChI=1S/C4H10N3O5P.2Na.4H2O/c1-7(2-3(8)9)4(5)6-13(10,11)12;;;;;;/h2H2,1H3,(H,8,9)(H4,5,6,10,11,12);;;4*1H2/q;2*+1;;;;/p-2

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Names and synonyms

1 names

Phosphocreatine disodium tetrahydrate

Work with Creatine phosphate disodium salt hexahydrate

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

Similar compounds

Creapure6020-87-747 % similar N-(4,5-Dihydro-1-methyl-4-oxo-1H-imidazol-2-yl)aminophosphoryl disodium19604-05-846 % similar Creatine57-00-140 % similar Creatine nitrate89695-59-038 % similar Creatine hcl17050-09-838 % similar Glycylsarcosine29816-01-138 % similar Disodium EDTA dihydrate6381-92-637 % similar Phosphocreatine67-07-236 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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