Specification: |
The Magnesium glycerophosphate with the cas number 927-20-8 is also called 1,2,3-Propanetriol,1-(dihydrogen phosphate), magnesium salt (1:1). Both the systematic name and IUPAC name are magnesium 2,3-dihydroxypropyl phosphate. Its EINECS registry number is 213-149-3. The molecular formula is C3H7O6P.Mg. This chemical is incompatible with strong oxidizing agents.
The properties of the chemical are: (1)ACD/LogP: -2.84; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -6; (4)ACD/LogD (pH 7.4): -7; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 6; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 95.03 Å2; (13)Enthalpy of Vaporization: 86.54 kJ/mol; (14)Vapour Pressure: 1.83×10-11 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: [Mg+2].[O-]P([O-])(=O)OCC(O)CO
(2)InChI: InChI=1/C3H9O6P.Mg/c4-1-3(5)2-9-10(6,7)8;/h3-5H,1-2H2,(H2,6,7,8);/q;+2/p-2
(3)InChIKey: BHJKUVVFSKEBEX-NUQVWONBAZ
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