CAS No.109434-24-4,N-Fmoc-N'-Trityl-L-histidine pentafluorophenyl ester Suppliers

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Basic Information

Molecular Structure:
CAS No.:	109434-24-4
Name:	N-Fmoc-N'-Trityl-L-histidine pentafluorophenyl ester

Formula:	C₄₆H₃₂F₅N₃O₄
Molecular Weight:	785.76
Synonyms:	L-Histidine,N-[(9H-fluoren-9-ylmethoxy)carbonyl]-1-(triphenylmethyl)-, pentafluorophenylester (9CI);Fmoc-His(Trt)-OPFP;(2,3,4,5,6-pentafluorophenyl) (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(1-tritylimidazol-4-yl)propanoate;Nalpha-Fmoc-N(im)-trityl-L-histidine pentafluorophenyl ester;
Density:	1.331 g/cm³
Melting Point:	97～100℃
Boiling Point:	857.799 °C at 760 mmHg
Flash Point:	472.58 °C
Appearance:	white - off-white powder
PSA:	82.45000
LogP:	9.86510

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Specification

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