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CAS No.: | 24593-59-7 |
---|---|
Name: | O-Benzyl-L-histidine bis(toluene-p-sulphonate) |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C27H31N3O8S2 |
Molecular Weight: | 589.69 |
Synonyms: | O-benzyl-L-histidine bis(toluene-p-sulphonate);L-Histidine benzyl ester di(p-toluenesulfonate) salt;(S)-Benzyl 2-aMino-3-(1H-iMidazol-4-yl)propanoate bis(4-Methylbenzenesulfonate) |
EINECS: | 246-334-2 |
Density: | g/cm3 |
Melting Point: | 146-149 °C |
Boiling Point: | 856.1°Cat760mmHg |
Flash Point: | 471.6°C |
PSA: | 206.50000 |
LogP: | 6.36820 |
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The O-Benzyl-L-histidine bis(toluene-p-sulphonate),with the CAS registry number 24593-59-7.It belongs to the product categories of amino acids.Its EINECS number is 246-334-2.This chemical molecular formula is C27H31N3O8S2,and molecular weight is 589.68,Its storage temp is 20 °C.
Physical properties about O-benzyl-L-histidine bis(toluene-p-sulphonate) are: (1)ACD/LogP: 2.535; (2)# of Rule of 5 Violations: 3; (3)#H bond acceptors: 11; (4)#H bond donors: 5; (5)#Freely Rotating Bonds: 9; (6)Flash Point: 471.6 °C; (7)Enthalpy of Vaporization: 130.37 kJ/mol; (8)Boiling Point: 856.1 °C at 760 mmHg; (9)Vapour Pressure: 3.24E-31 mmHg at 25°C
You can still convert the following datas into molecular structure:
(1)SMILES:N[C@@H](Cc1cncn1)C(=O)OCc2ccccc2.OS(=O)(=O)c1ccc(C)cc1.OS(=O)(=O)c1ccc(C)cc1;
(2)Std. InChI:InChI=1S/C13H15N3O2.2C7H8O3S/c14-12(6-11-7-15-9-16-11)13(17)18-8-10-4-2-1-3-5-10;2*1-6-2-4-7(5-3-6)11(8,9)10/h1-5,7,9,12H,6,8,14H2,(H,15,16);2*2-5H,1H3,(H,8,9,10)/t12-;;/m0../s1;
(3)Std. InChIKey:FQHRMEOHSXSJBX-LTCKWSDVSA-N;