chempirical

Calcium phosphorylcholine

C5H15CaClNO4PCAS 4826-71-5259.68 g/mol

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Salt ratio not recorded. The source lists this compound as the parent acid and the metal without saying how many of each, so the formula and molar mass are for one of each. Check the formula on the supplier's label before you weigh it.
N+OPOO−OHHClCa
PhosphateQuaternary ammonium

Properties

Molecular formula
C5H15CaClNO4P
Molar mass
259.68 g/mol
Exact mass
259.0053 Da
logP
-0.79Crippen estimate
Polar surface area
69.6 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
4

Identifiers

CAS number
4826-71-5
SMILES
C[N+](C)(C)CCOP(=O)([O-])O.Cl.[Ca]
InChIKey
WYMGDKJTOPUGHJ-UHFFFAOYSA-N
InChI
InChI=1S/C5H14NO4P.Ca.ClH/c1-6(2,3)4-5-10-11(7,8)9;;/h4-5H2,1-3H3,(H-,7,8,9);;1H

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Type any one amount. The others follow from the molar mass.

Names and synonyms

18 names · show all
  • Ethanaminium, N,N,N-trimethyl-2-(phosphonooxy)-, chloride, calcium salt (1:1:1)
  • Choline, chloride, dihydrogen phosphate, calcium salt (1:1)
  • Ethanaminium, N,N,N-trimethyl-2-(phosphonooxy)-, chloride, calcium salt (1:1)
  • Choline, chloride phosphate, Ca salt
  • Calcium phosphorylcholine chloride
  • Pancholin
  • Phoscholin
  • Ipercolin
  • Biocalcose
  • Colifos
  • Colincalcium
  • Mebophos
  • Merival
  • Phosphorylcholine chloride calcium salt
  • Phosphorylcholine calcium salt
  • Epafosforil
  • Fosfocolina
  • Isocolin

Work with Calcium phosphorylcholine

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

Phosphocholine107-73-394 % similar Emulsiphos19035-79-142 % similar Miltefosine58066-85-641 % similar Sn-glycero-3-phosphocholine28319-77-940 % similar Carbachol51-83-236 % similar 2-Methacryloyloxyethyl phosphorylcholine67881-98-535 % similar Sodium α-glycerophosphate17603-42-833 % similar 1-Palmitoyl-sn-glycero-3-phosphocholine17364-16-832 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook