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D-Cysteine,N-[(9H-fluoren-9-ylmethoxy)carbonyl]-S-(triphenylmethyl)-, pentafluorophenylester (9CI)

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Name

D-Cysteine,N-[(9H-fluoren-9-ylmethoxy)carbonyl]-S-(triphenylmethyl)-, pentafluorophenylester (9CI)

EINECS N/A
CAS No. 200395-72-8 Density 1.36 g/cm3
PSA 89.93000 LogP 10.31100
Solubility N/A Melting Point N/A
Formula C43H30F5NO4S Boiling Point 803.513 °C at 760 mmHg
Molecular Weight 751.7596 Flash Point 439.749 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 200395-72-8 (Fmoc-D-Cys(Trt)- OPfp) Hazard Symbols N/A
Synonyms

(S)-perfluorophenyl 2-(((9H-fluoren-9-yl)methoxy)carbonylamino)-3-(tritylthio)propanoate;N^a-FMoc-S-trityl-D-cysteine pentafluorophenyl ester, 98%;N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-S-(triphenylmethyl)-D-cysteine pentafluorophenyl ester

 

D-Cysteine,N-[(9H-fluoren-9-ylmethoxy)carbonyl]-S-(triphenylmethyl)-, pentafluorophenylester (9CI) Specification

The D-Cysteine,N-[(9H-fluoren-9-ylmethoxy)carbonyl]-S-(triphenylmethyl)-, pentafluorophenylester (9CI), with the CAS registry number 200395-72-8, is also known as Pentafluorophenyl N-[(9H-fluoren-9-ylmethoxy)carbonyl]-S-trityl-D-cysteinate. This chemical's molecular formula is C43H30F5NO4S and molecular weight is 751.7596. What's more, its systematic name which is called (2,3,4,5,6-Pentafluorophenyl) (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-tritylsulfanyl-propanoate.

Physical properties about D-Cysteine,N-[(9H-fluoren-9-ylmethoxy)carbonyl]-S-(triphenylmethyl)-, pentafluorophenylester (9CI) are: (1)ACD/LogP: 8.40; (2)#of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 8.403; (4)ACD/LogD (pH 7.4): 8.402; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 887182.188; (8)ACD/KOC (pH 7.4): 885401.438; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 13; (12)Polar Surface Area: 89.93 Å2; (13)Index of Refraction: 1.62; (14)Molar Refractivity: 194.083 cm3; (15)Molar Volume: 552.878 cm3; (16)olarizability: 76.94×10-24 cm3; (17)Surface Tension: 50.788 dyne/cm; (18)Density: 1.36 g/cm3; (19)Flash Point: 439.749 °C; (20)Enthalpy of Vaporization: 116.827 kJ/mol; (21)Boiling Point: 803.513 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: c1ccc(cc1)C(c2ccccc2)(c3ccccc3)SC[C@H](C(=O)Oc4c(c(c(c(c4F)F)F)F)F)NC(=O)OCC5c6ccccc6-c7c5cccc7
(2) InChI: InChI=1/C43H30F5NO4S/c44-35-36(45)38(47)40(39(48)37(35)46)53-41(50)34(49-42(51)52-24-33-31-22-12-10-20-29(31)30-21-11-13-23-32(30)33)25-54-43(26-14-4-1-5-15-26,27-16-6-2-7-17-27)28-18-8-3-9-19-28/h1-23,33-34H,24-25H2,(H,49,51)/t34-/m1/s1
(3) InChIKey: FDAUCYDVXIPBDR-UUWRZZSWBY

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