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Calcium glycerol phosphate,EINECS 215-643-4,1,2,3-Propanetriol, mono(d

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摘 要:Calcium glycerol phosphate,EINECS 215-643-4,1,2,3-Propanetriol, mono(dihydrogen phosphate), calcium salt,1336-00-1, calcium propane-1,2,3-triol phosphate,Canonical SMILES: C(C(CO)O)O.[O-]P(=O)([O-])[O-].[Ca+2],InChI: InChI=1/C3H8O3.Ca.H3O4P/c4-1-3(6)
[Synonyms]
Calcium glycerol phosphate
EINECS 215-643-4
1,2,3-Propanetriol, mono(dihydrogen phosphate), calcium salt
1336-00-1

[Structure]
Calcium glycerol phosphate,EINECS 215-643-4,1,2,3-Propanetriol, mono(d

[ Properties Computed from Structure]
Molecular Weight227.143181 [g/mol]
Molecular FormulaC3H8CaO7P-
H-Bond Donor3
H-Bond Acceptor7
Rotatable Bond Count2
Exact Mass226.963355
MonoIsotopic Mass226.963355
Topological Polar Surface Area147
Heavy Atom Count12
Formal Charge-1
Complexity62
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count3

[ Descriptors Computed from Structure]
IUPAC Name: calcium propane-1,2,3-triol phosphate
Canonical SMILES: C(C(CO)O)O.[O-]P(=O)([O-])[O-].[Ca+2]
InChI: InChI=1/C3H8O3.Ca.H3O4P/c4-1-3(6)2-5;;1-5(2,3)4/h3-6H,1-2H2;;(H3,1,2,3,
4)/q;+2;/p-3/fC3H8O3.Ca.O4P/q;m;-3

 
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