CAS No.200616-21-3,Fmoc-D-Glu(OtBu)-OPfp Suppliers

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Basic Information

Molecular Structure:
CAS No.:	200616-21-3
Name:	Fmoc-D-Glu(OtBu)-OPfp
Article Data:	3

Formula:	C₃₀H₂₆F₅NO₆
Molecular Weight:	591.532
Synonyms:	5-tert-Butyl 1-(pentafluorophenyl) N-[(9H-fluoren-9-ylmethoxy)carbonyl]-D-glutamate;D-Glutamic acid, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-, 5-(1,1-dimethylethyl) 1-(2,3,4,5,6-pentafluorophenyl) ester;
Density:	1.353 g/cm³
Boiling Point:	674.204 °C at 760 mmHg
Flash Point:	361.546 °C
PSA:	90.93000
LogP:	6.70760

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Specification

The CAS register number of 5-tert-Butyl 1-(pentafluorophenyl) N-[(9H-fluoren-9-ylmethoxy)carbonyl]-D-glutamate is 200616-21-3. It also can be called as Fmoc-D-Glu(OtBu)-OPfp and the systematic name about this chemical is O5-tert-butyl O1-(2,3,4,5,6-pentafluorophenyl) (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanedioate. The molecular formula about this chemical is C₃₀H₂₆F₅NO₆ and the molecular weight is 591.526.

Physical properties about 5-tert-Butyl 1-(pentafluorophenyl) N-[(9H-fluoren-9-ylmethoxy)carbonyl]-D-glutamate are: (1)ACD/LogP: 6.56; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 6.555; (4)ACD/LogD (pH 7.4): 6.554; (5)ACD/BCF (pH 5.5): 56430.879; (6)ACD/BCF (pH 7.4): 56315.754; (7)ACD/KOC (pH 5.5): 87642.391; (8)ACD/KOC (pH 7.4): 87463.586; (9)#H bond acceptors: 7; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 12; (12)Polar Surface Area: 90.93Å²; (13)Index of Refraction: 1.545; (14)Molar Refractivity: 138.135 cm³; (15)Molar Volume: 437.232 cm³; (16)Polarizability: 54.761x10^-24cm³; (17)Surface Tension: 44.857 dyne/cm; (18)Flash Point: 361.546 °C; (19)Enthalpy of Vaporization: 99.014 kJ/mol; (20)Boiling Point: 674.204 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)OC(=O)CC[C@H](C(=O)Oc1c(c(c(c(c1F)F)F)F)F)NC(=O)OCC2c3ccccc3-c4c2cccc4
(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-/m1/s1
(3)InChIKey: AIDYQYOPUBOMTR-HXUWFJFHBV
(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-/m1/s1
(5)Std. InChIKey: AIDYQYOPUBOMTR-HXUWFJFHSA-N