The N-Fmoc-N'-Trityl-L-histidine pentafluorophenyl ester, with the CAS registry number 109434-24-4, has the systematic name of (2,3,4,5,6-pentafluorophenyl) (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(1-tritylimidazol-4-yl)propanoate. It belongs to the product categories of Amino Acid Derivatives and Amino Acids. And it should be store at 2-8°C. The molecular formula of the chemical is C46H32F5N3O4.
The characteristics of this chemical are as followings: (1)ACD/LogP: 10.83; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 10.46; (4)ACD/LogD (pH 7.4): 10.82; (5)#H bond acceptors: 7; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 13; (8)Polar Surface Area: 82.45 Å2; (9)Index of Refraction: 1.624; (10)Molar Refractivity: 208.59 cm3; (11)Molar Volume: 590.2 cm3; (12)Polarizability: 82.69×10-24cm3; (13)Surface Tension: 45.2 dyne/cm; (14)Density: 1.33 g/cm3; (15)Flash Point: 472.6 °C; (16)Enthalpy of Vaporization: 124.65 kJ/mol; (17)Boiling Point: 857.8 °C at 760 mmHg; (18)Vapour Pressure: 9.03E-30 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Fc8c(F)c(F)c(F)c(F)c8OC(=O)[C@@H](NC(=O)OCC3c1ccccc1c2ccccc23)Cc4cn(cn4)C(c5ccccc5)(c6ccccc6)c7ccccc7
(2)InChI: InChI=1/C46H32F5N3O4/c47-38-39(48)41(50)43(42(51)40(38)49)58-44(55)37(53-45(56)57-26-36-34-22-12-10-20-32(34)33-21-11-13-23-35(33)36)24-31-25-54(27-52-31)46(28-14-4-1-5-15-28,29-16-6-2-7-17-29)30-18-8-3-9-19-30/h1-23,25,27,36-37H,24,26H2,(H,53,56)/t37-/m0/s1
(3)InChIKey: BEYCFWPYIFVBLO-QNGWXLTQBD
About|Contact|Cas|Product Name|Molecular|Country|Encyclopedia
Message|New Cas|MSDS|Service|Advertisement|CAS DataBase|Article Data|Manufacturers | Chemical Catalog
©2008 LookChem.com,License: ICP
NO.:Zhejiang16009103
complaints:service@lookchem.com Desktop View