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Name |
Pentafluorophenyl N-[(9H-fluoren-9-ylmethoxy)carbonyl]-D-alaninate |
EINECS | N/A |
CAS No. | 125043-04-1 | Density | 1.426 g/cm3 |
PSA | 64.63000 | LogP | 5.60560 |
Solubility | N/A | Melting Point |
N/A |
Formula | C24H16F5NO4 | Boiling Point | 574.1 °C at 760 mmHg |
Molecular Weight | 477.38 | Flash Point | 301 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 24/25 | Risk Codes | N/A |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Fmoc-D-Ala-OPfp;D-Alanine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-, 2,3,4,5,6-pentafluorophenyl ester;Fmoc-D-alanine pentafluorophenyl ester; |
The CAS register number of Pentafluorophenyl N-[(9H-fluoren-9-ylmethoxy)carbonyl]-D-alaninate is 125043-04-1. It also can be called as Fmoc-D-alanine pentafluorophenyl ester and the systematic name about this chemical is pentafluorophenyl N-[(9H-fluoren-9-ylmethoxy)carbonyl]-D-alaninate. The molecular formula about this chemical is C24H16F5NO4 and the molecular weight is 477.38. It belongs to the following product categories, which include Fmoc-Amino Acids and Derivatives; Fmoc-Amino acid series and so on.
Physical properties about Pentafluorophenyl N-[(9H-fluoren-9-ylmethoxy)carbonyl]-D-alaninate are: (1)ACD/LogP: 6.27; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.27; (4)ACD/LogD (pH 7.4): 6.27; (5)ACD/BCF (pH 5.5): 34481.66; (6)ACD/BCF (pH 7.4): 34441.43; (7)ACD/KOC (pH 5.5): 61600.96; (8)ACD/KOC (pH 7.4): 61529.11; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 55.84Å2; (13)Index of Refraction: 1.562; (14)Molar Refractivity: 108.59 cm3; (15)Molar Volume: 334.6 cm3; (16)Polarizability: 43.05x10-24cm3; (17)Surface Tension: 46.3 dyne/cm; (18)Enthalpy of Vaporization: 86.02 kJ/mol; (19)Boiling Point: 574.1 °C at 760 mmHg; (20)Vapour Pressure: 3.49E-13 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)C
(2)InChI: InChI=1/C24H16F5NO4/c1-11(23(31)34-22-20(28)18(26)17(25)19(27)21(22)29)30-24(32)33-10-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16/h2-9,11,16H,10H2,1H3,(H,30,32)/t11-/m1/s1
(3)InChIKey: CJXZXBGKOSXBFR-LLVKDONJBN
(4)Std. InChI: InChI=1S/C24H16F5NO4/c1-11(23(31)34-22-20(28)18(26)17(25)19(27)21(22)29)30-24(32)33-10-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16/h2-9,11,16H,10H2,1H3,(H,30,32)/t11-/m1/s1
(5)Std. InChIKey: CJXZXBGKOSXBFR-LLVKDONJSA-N