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86061-04-3

Basic Information
CAS No.: 86061-04-3
Name: FMOC-GLU(OTBU)-OPFP
Article Data: 3
Molecular Structure:
Molecular Structure of 86061-04-3 (FMOC-GLU(OTBU)-OPFP)
Formula: C30H26F5NO6
Molecular Weight: 591.532
Synonyms: L-Glutamicacid, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-, 5-(1,1-dimethylethyl)1-(pentafluorophenyl) ester (9CI);N-(9-Fluorenylmethoxycarbonyl)-L-glutamicacid a-pentafluorophenyl g-tert-butyl ester;
EINECS: 685-333-5
Density: 1.352g/cm3
Melting Point: 119-120℃
Boiling Point: 674.2 °C at 760 mmHg
Flash Point: 361.5 °C
Safety: 24/25
PSA: 90.93000
LogP: 6.70760
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    N-alpha-(9-Fluorenylmethyloxycarbonyl)-L-glutamic-acid-gamma-t-butyl esterpentafluor phenyl ester

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Specification

The Fmoc-Glu(OtBu)-OPfp, with CAS registry number 86061-04-3, belongs to the following product categories: (1)Amino Acids; (2)Fmoc-Amino Acids and Derivatives; (3)Fmoc-Amino acid series. It has the systematic name of 5-tert-butyl 1-(pentafluorophenyl) N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-glutamate. This chemical should be stored at the temperature of 2-8°C.

Physical properties of Fmoc-Glu(OtBu)-OPfp: (1)ACD/LogP: 7.99; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 7.99; (4)ACD/LogD (pH 7.4): 7.99; (5)ACD/BCF (pH 5.5): 692873.44; (6)ACD/BCF (pH 7.4): 691459.88; (7)ACD/KOC (pH 5.5): 527602.38; (8)ACD/KOC (pH 7.4): 526526; (9)#H bond acceptors: 7; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 12; (12)Polar Surface Area: 82.14 Å2; (13)Index of Refraction: 1.544; (14)Molar Refractivity: 138.13 cm3; (15)Molar Volume: 437.2 cm3; (16)Polarizability: 54.76×10-24cm3; (17)Surface Tension: 44.8 dyne/cm; (18)Density: 1.352 g/cm3; (19)Flash Point: 361.5 °C; (20)Enthalpy of Vaporization: 99.01 kJ/mol; (21)Boiling Point: 674.2 °C at 760 mmHg; (22)Vapour Pressure: 4.89E-18 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc4c(F)c(F)c(F)c(F)c4OC(=O)[C@@H](NC(=O)OCC3c1ccccc1c2c3cccc2)CCC(=O)OC(C)(C)C
(2)InChI: InChI=1/C30H26F5NO6/c1-30(2,3)42-21(37)13-12-20(28(38)41-27-25(34)23(32)22(31)24(33)26(27)35)36-29(39)40-14-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h4-11,19-20H,12-14H2,1-3H3,(H,36,39)/t20-/m0/s1
(3)InChIKey: AIDYQYOPUBOMTR-FQEVSTJZBC
(4)Std. InChI: InChI=1S/C30H26F5NO6/c1-30(2,3)42-21(37)13-12-20(28(38)41-27-25(34)23(32)22(31)24(33)26(27)35)36-29(39)40-14-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h4-11,19-20H,12-14H2,1-3H3,(H,36,39)/t20-/m0/s1
(5)Std. InChIKey: AIDYQYOPUBOMTR-FQEVSTJZSA-N