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D-Serine benzyl ester ptsa

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D-Serine benzyl ester ptsa

EINECS
CAS No. 133099-80-6 Density
Solubility Melting Point
Formula C17H21NO6S Boiling Point 360.4 °C at 760 mmHg
Molecular Weight 367.42 Flash Point 171.8 °C
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Safety Risk Codes
Molecular Structure Molecular Structure of 133099-80-6 (D-Serine benzyl ester ptsa) Hazard Symbols
Synonyms

D-SERINE BENZYL ESTER PTSA

 

D-Serine benzyl ester ptsa Specification

The ptsa CAS registry number of D-Serine benzyl ester is 133099-80-6. This chemical's molecular formula is C17H21NO6S and molecular weight is 367.4167. Its systematic name is called (2S)-1-(benzyloxy)-3-hydroxy-1-oxopropan-2-aminium 4-methylbenzenesulfonate.

Physical properties of D-Serine benzyl ester ptsa: (1)ACD/LogP: 0.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1; (4)ACD/LogD (pH 7.4): 0; (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): 28; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 7; (12)Flash Point: 171.8 °C; (13)Enthalpy of Vaporization: 63.95 kJ/mol; (14)Boiling Point: 360.4 °C at 760 mmHg; (15)Vapour Pressure: 8E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-]S(=O)(=O)c1ccc(cc1)C.O=C(OCc1ccccc1)[C@@H]([NH3+])CO
(2)InChI: InChI=1/C10H13NO3.C7H8O3S/c11-9(6-12)10(13)14-7-8-4-2-1-3-5-8;1-6-2-4-7(5-3-6)11(8,9)10/h1-5,9,12H,6-7,11H2;2-5H,1H3,(H,8,9,10)/t9-;/m0./s1
(3)InChIKey: AKSVYZARYSSXSL-FVGYRXGTBE

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