chempirical

Calcium glycerophosphate

C3H7CaO6PCAS 27214-00-2210.13 g/mol

Open in Covalent MOL file
HOOPOO−O−HOCa2+
AlcoholPhosphate

Properties

Molecular formula
C3H7CaO6P
Molar mass
210.13 g/mol
Exact mass
209.9606 Da
logP
-3.20Crippen estimate
Polar surface area
112.9 Ų
H-bond donors / acceptors
2 / 6
Rotatable bonds
4

Hazards

Not classified as hazardous under GHS by 76 ECHA notifiers. Aggregated from 76 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
27214-00-2
SMILES
C(C(CO)OP(=O)([O-])[O-])O.[Ca+2]
InChIKey
UHHRFSOMMCWGSO-UHFFFAOYSA-L
InChI
InChI=1S/C3H9O6P.Ca/c4-1-3(2-5)9-10(6,7)8;/h3-5H,1-2H2,(H2,6,7,8);/q;+2/p-2

Weigh it out

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

Names and synonyms

6 names
  • 1,2,3-Propanetriol, mono(dihydrogen phosphate), calcium salt (1:1)
  • Glycerol, mono(dihydrogen phosphate), calcium salt (1:1)
  • Nerozin
  • Calcium glycerol phosphate
  • Prelief
  • Neurosin

Work with Calcium glycerophosphate

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.

Sodium β-glycerophosphate819-83-0Salt Sodium 2-glycerophosphate pentahydrate13408-09-8Salt

Similar compounds

Phytin3615-82-544 % similar Calcium pyrophosphate7790-76-344 % similar α-D-Glucopyranosyl phosphate disodium salt56401-20-841 % similar Magnesium glycerophosphate927-20-841 % similar α-D-Glucopyranose, 1-(dihydrogen phosphate), dipotassium salt, dihydrate5996-14-539 % similar D-Myo-inositol 1,4,5-trisphosphate hexapotassium salt103476-24-036 % similar Potassium (1R,2S,3R,4R,5S,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl phosphate129832-03-736 % similar Calcium phosphorylcholine4826-71-533 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook