Products Categories
CAS No.: | 187671-16-5 |
---|---|
Name: | Fmoc-Asp-OFm |
Molecular Structure: | |
Formula: | C33H27NO6 |
Molecular Weight: | 533.58 |
Synonyms: | Fmoc-Asp-OFm; |
Density: | 1.322 g/cm3 |
Boiling Point: | 777.9 °C at 760 mmHg |
Flash Point: | 424.3 °C |
PSA: | 101.93000 |
LogP: | 6.11500 |
The L-Aspartic acid,N-[(9H-fluoren-9-ylmethoxy)carbonyl]-, 1-(9H-fluoren-9-ylmethyl) ester, with the CAS registry number 187671-16-5, is also known as Fmoc-Asp-OFm. It belongs to the product categories of Fmoc-Amino Acid Series; Fmoc-Amino Acids and Derivatives. This chemical's molecular formula is C33H27NO6 and molecular weight is 533.57. What's more, its systematic name is L-aspartic acid, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-, 1-(9H-fluoren-9-ylmethyl) ester.
Physical properties about L-Aspartic acid,N-[(9H-fluoren-9-ylmethoxy)carbonyl]-, 1-(9H-fluoren-9-ylmethyl) ester are: (1) ACD/LogP: 7.61; (2) # of Rule of 5 Violations: 2; (3) ACD/LogD (pH 5.5): 6.07; (4) ACD/LogD (pH 7.4): 4.35; (5) ACD/BCF (pH 5.5): 10267.13; (6) ACD/BCF (pH 7.4): 195.09; (7) ACD/KOC (pH 5.5): 9456.59; (8) ACD/KOC (pH 7.4): 179.69; (9) #H bond acceptors: 7; (10) #H bond donors: 2; (11) #Freely Rotating Bonds: 10; (12) Polar Surface Area: 101.93 Å2; (13) Index of Refraction: 1.647; (14) Molar Refractivity: 146.76 cm3; (15) Molar Volume: 403.5 cm3; (16) Polarizability: 58.18×10-24cm3; (17) Surface Tension: 60.5 dyne/cm; (18) Density: 1.322 g/cm3; (19) Flash Point: 424.3 °C; (20) Enthalpy of Vaporization: 118.75 kJ/mol; (21) Boiling Point: 777.9 °C at 760 mmHg; (22) Vapour Pressure: 1.79E-25 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1) SMILES: c1ccc2c(c1)-c3ccccc3C2COC(=O)[C@H](CC(=O)O)NC(=O)OCC4c5ccccc5-c6c4cccc6
(2) InChI: InChI=1/C33H27NO6/c35-31(36)17-30(32(37)39-18-28-24-13-5-1-9-20(24)21-10-2-6-14-25(21)28)34-33(38)40-19-29-26-15-7-3-11-22(26)23-12-4-8-16-27(23)29/h1-16,28-30H,17-19H2,(H,34,38)(H,35,36)/t30-/m0/s1
(3) InChIKey: AAVDDDPGTRDTJT-PMERELPUBN