CAS No.125043-04-1,FMOC-D-ALA-OPFP Suppliers

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Basic Information

Molecular Structure:
CAS No.:	125043-04-1
Name:	FMOC-D-ALA-OPFP

Formula:	C₂₄H₁₆F₅NO₄
Molecular Weight:	477.38
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;
Density:	1.426 g/cm³
Boiling Point:	574.1 °C at 760 mmHg
Flash Point:	301 °C
Safety:	24/25
PSA:	64.63000
LogP:	5.60560

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Specification

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