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CAS No.: | 1334-74-3 |
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Name: | Sodium glycerophosphate hydrate |
Molecular Structure: | |
Formula: | C3H9Na2O7P |
Molecular Weight: | 234.0527 |
Synonyms: | disodium; hydroxy-dioxido-oxo-phosphorane; propane-1,2,3-triol;Sodium glycerophosphate anhydrous;1,2,3-Propanetriol, mono(dihydrogen phosphate), disodium salt;Disodium glycerol phosphate; |
EINECS: | 215-613-0 |
Boiling Point: | 290 °C at 760 mmHg |
Flash Point: | 160 °C |
Appearance: | white powder |
PSA: | 122.69000 |
LogP: | -0.67470 |
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The Sodium glycerophosphate hydrate, with CAS registry number 1334-74-3, has the systematic name of sodium hydrogen phosphate - propane-1,2,3-triol (2:1:1). Besides this, it is also called Sodium glycerophosphate anhydrous. And the chemical formula of this chemical is C3H9Na2O7P. What's more, its EINECS is 215-613-0.
Physical properties of Sodium glycerophosphate hydrate: (1)ACD/LogP: -2.32; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.32; (4)ACD/LogD (pH 7.4): -2.32; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.3; (8)ACD/KOC (pH 7.4): 1.3; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 27.69 Å2; (13)Flash Point: 160 °C; (14)Enthalpy of Vaporization: 61.42 kJ/mol; (15)Boiling Point: 290 °C at 760 mmHg; (16)Vapour Pressure: 0.000232 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: [Na+].[Na+].[O-]P([O-])(=O)O.OCC(O)CO
(2)InChI: InChI=1/C3H8O3.2Na.H3O4P/c4-1-3(6)2-5;;;1-5(2,3)4/h3-6H,1-2H2;;;(H3,1,2,3,4)/q;2*+1;/p-2
(3)InChIKey: SUGICANDHPGNGO-NUQVWONBAI
(4)Std. InChI: InChI=1S/C3H8O3.2Na.H3O4P/c4-1-3(6)2-5;;;1-5(2,3)4/h3-6H,1-2H2;;;(H3,1,2,3,4)/q;2*+1;/p-2
(5)Std. InChIKey: SUGICANDHPGNGO-UHFFFAOYSA-L