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| CAS No.: | 86061-01-0 |
|---|---|
| Name: | FMOC-ASP(OTBU)-OPFP |
| Molecular Structure: | |
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| Formula: | C29H24F5NO6 |
| Molecular Weight: | 577.505 |
| Synonyms: | L-Asparticacid, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-, 4-(1,1-dimethylethyl)1-(pentafluorophenyl) ester (9CI);N-(9-Fluorenylmethoxycarbonyl)-L-asparticacid a-pentafluorophenyl b-tert-butyl ester;Fmoc-Asp(OtBu)-OPfp; |
| Density: | 1.373 g/cm3 |
| Melting Point: | 90-100°C |
| Boiling Point: | 665.98 °C at 760 mmHg |
| Flash Point: | 356.572 °C |
| Safety: | 24/25 |
| PSA: | 90.93000 |
| LogP: | 6.31750 |
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Specification
The L-Aspartic acid,N-[(9H-fluoren-9-ylmethoxy)carbonyl]-, 4-(1,1-dimethylethyl)1-(2,3,4,5,6-pentafluorophenyl) ester, with the CAS registry number 86061-01-0, is also known as Fmoc-Asp(OtBu)-OPfp. It belongs to the product categories of Amino Acids; Fmoc-Amino Acids and Derivatives; Fmoc-Amino Acid Series. This chemical's molecular formula is C29H24F5NO6 and molecular weight is 577.5. What's more, its systematic name is called 4-tert-Butyl 1-(pentafluorophenyl) N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-aspartate.
Physical properties about L-Aspartic acid,N-[(9H-fluoren-9-ylmethoxy)carbonyl]-, 4-(1,1-dimethylethyl)1-(2,3,4,5,6-pentafluorophenyl) ester are: (1)ACD/LogP: 6.31; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 8; (4)ACD/LogD (pH 7.4): 8; (5)ACD/BCF (pH 5.5): 822257; (6)ACD/BCF (pH 7.4): 818673; (7)ACD/KOC (pH 5.5): 596383; (8)ACD/KOC (pH 7.4): 593783; (9)#H bond acceptors: 7; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 11; (12)Polar Surface Area: 90.93 Å2; (13)Index of Refraction: 1.547; (14)Molar Refractivity: 133.502 cm3; (15)Molar Volume: 420.725 cm3; (16)Surface Tension: 45.342 dyne/cm; (17)Density: 1.373 g/cm3; (18)Flash Point: 356.572 °C; (19)Enthalpy of Vaporization: 97.92 kJ/mol; (20)Boiling Point: 665.98 °C at 760 mmHg; (21)Vapour Pressure: 0 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)CC(=O)OC(C)(C)C
(2) InChI: InChI=1/C29H24F5NO6/c1-29(2,3)41-20(36)12-19(27(37)40-26-24(33)22(31)21(30)23(32)25(26)34)35-28(38)39-13-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h4-11,18-19H,12-13H2,1-3H3,(H,35,38)/t19-/m0/s1
(3) InChIKey: DWYWJUBBXKYAMY-IBGZPJMEBT