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1300-26-1

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Basic Information
CAS No.: 1300-26-1
Name: ZINC GLYCEROPHOSPHATE
Molecular Structure:
Molecular Structure of 1300-26-1 (ZINC GLYCEROPHOSPHATE)
Formula: C3H7O6PZn
Molecular Weight: 235.4668
Synonyms: Zinc glycerol phosphate;1,2,3-Propanetriol, mono(dihydrogen phosphate), zinc salt (1:1);3-phosphonooxypropane-1,2-diolate; zinc(+2) cation;
EINECS: 215-079-9
Boiling Point: 485.5 °C at 760 mmHg
Flash Point: 247.4 °C
Appearance: powder
PSA: 122.69000
LogP: -0.67720
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Specification

The Zinc glycerophosphate, with CAS registry number 1300-26-1, has the systematic name of zinc 3-(phosphonooxy)propane-1,2-diolate. Besides this, it is also called 2,2-Dimethylundecanoic acid. Its IUPAC name is zinc 3-phosphonooxypropane-1,2-diolate. And the chemical formula of this chemical is C3H7O6PZn.

Physical properties of Zinc glycerophosphate: (1)ACD/LogP: -2.84; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -6.18; (4)ACD/LogD (pH 7.4): -7.12; (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)Flash Point: 247.4 °C; (14)Enthalpy of Vaporization: 86.54 kJ/mol; (15)Boiling Point: 485.5 °C at 760 mmHg; (16)Vapour Pressure: 1.83E-11 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [Zn+2].O=P(O)(O)OCC([O-])C[O-]
(2)InChI: InChI=1/C3H7O6P.Zn/c4-1-3(5)2-9-10(6,7)8;/h3H,1-2H2,(H2,6,7,8);/q-2;+2
(3)InChIKey: XLMCDAMBOROREP-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C3H7O6P.Zn/c4-1-3(5)2-9-10(6,7)8;/h3H,1-2H2,(H2,6,7,8);/q-2;+2
(5)Std. InChIKey: XLMCDAMBOROREP-UHFFFAOYSA-N