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1323-31-5

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Basic Information
CAS No.: 1323-31-5
Name: Strychnine glycerophosphate
Molecular Structure:
Molecular Structure of 1323-31-5 (Strychnine glycerophosphate)
Formula: C24H31N2O8P
Molecular Weight: 506.49
Synonyms: STRYCHNINE GLYCEROPHOSPHATE
EINECS: 215-352-2
Boiling Point: 827.4 °C at 760 mmHg
Flash Point: 454.2 °C
PSA: 149.81000
LogP: 0.54430
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Specification

The Strychnine glycerophosphate, with CAS registry number 1323-31-5, has the systematic name of 2,3-dihydroxypropyl dihydrogen phosphate - strychnidin-10-one (1:1). And the chemical formula of this chemical is C24H31N2O8P. What's more, its EINECS is 215-352-2.

Physical properties of Strychnine glycerophosphate: (1)# of Rule of 5 Violations: 2; (2)#H bond acceptors: 10; (3)#H bond donors: 4; (4)#Freely Rotating Bonds: 6; (5)Polar Surface Area: 149.81 Å2; (6)Flash Point: 454.2 °C; (7)Enthalpy of Vaporization: 126.05 kJ/mol; (8)Boiling Point: 827.4 °C at 760 mmHg; (9)Vapour Pressure: 5.32E-29 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OCC(O)COP(O)(O)=O.O=C1C[C@@H]2OC\C=C5\CN3CC[C@]64c7ccccc7N1[C@H]6[C@H]2[C@H]5C[C@H]34
(2)InChI: InChI=1/C21H22N2O2.C3H9O6P/c24-18-10-16-19-13-9-17-21(6-7-22(17)11-12(13)5-8-25-16)14-3-1-2-4-15(14)23(18)20(19)21;4-1-3(5)2-9-10(6,7)8/h1-5,13,16-17,19-20H,6-11H2;3-5H,1-2H2,(H2,6,7,8)/t13-,16-,17-,19-,20-,21+;/m0./s1
(3)InChIKey: ROQNYMQPZHTPCA-ZEYGOCRCBB
(4)Std. InChI: InChI=1S/C21H22N2O2.C3H9O6P/c24-18-10-16-19-13-9-17-21(6-7-22(17)11-12(13)5-8-25-16)14-3-1-2-4-15(14)23(18)20(19)21;4-1-3(5)2-9-10(6,7)8/h1-5,13,16-17,19-20H,6-11H2;3-5H,1-2H2,(H2,6,7,8)/t13-,16-,17-,19-,20-,21+;/m0./s1
(5)Std. InChIKey: ROQNYMQPZHTPCA-ZEYGOCRCSA-N