Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
(S)-3-(Fmoc-amino)-5-phenylpentanoic acid |
EINECS | N/A |
CAS No. | 219967-74-5 | Density | 1.234 g/cm3 |
PSA | 75.63000 | LogP | 5.39210 |
Solubility | N/A | Melting Point |
176-177 °C |
Formula | C26H25NO4 | Boiling Point | 657.5 °C at 760 mmHg |
Molecular Weight | 415.48 | Flash Point | 351.5 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 22-24/25 | Risk Codes | N/A |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
(3S)-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-5-phenylpentanoic acid;Benzenepentanoic acid, β-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (betaS)-;(S)-3-(Fmoc-amino)-5-phenyl-pentanoic acid;Fmoc-(S)-3-Amino-5-phenyl-pentanoic acid;phenyl-pentanoic acid;Fmoc-5-phenyl-L-β-norvaline; |
Article Data | 1 |
The (S)-3-(Fmoc-amino)-5-phenylpentanoic acid, with the cas registry number 219967-74-5, has the systematic name of (3S)-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-5-phenylpentanoic acid. It belongs to the product categories of 3-Amino-4-phenylbutanoic Acid Analogs and B-Amino. And the molecular formula of the chemical is C26H25NO4. When you are dealing with the chemical, you should be cautious not to breathe dust and avoid contact with skin and eyes.
The characteristics of this chemical are as followings: (1)ACD/LogP: 5.80; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 4.52; (4)ACD/LogD (pH 7.4): 2.74; (5)ACD/BCF (pH 5.5): 789.77; (6)ACD/BCF (pH 7.4): 13.14; (7)ACD/KOC (pH 5.5): 1782.06; (8)ACD/KOC (pH 7.4): 29.65; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 55.84 Å2; (13)Index of Refraction: 1.616; (14)Molar Refractivity: 117.66 cm3; (15)Molar Volume: 336.4 cm3; (16)Polarizability: 46.64×10-24cm3; (17)Surface Tension: 54.4 dyne/cm; (18)Density: 1.234 g/cm3; (19)Flash Point: 351.5 °C; (20)Enthalpy of Vaporization: 101.71 kJ/mol; (21)Boiling Point: 657.5 °C at 760 mmHg; (22)Vapour Pressure: 3.47E-18 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(O)C[C@@H](NC(=O)OCC3c1ccccc1c2c3cccc2)CCc4ccccc4
(2)InChI: InChI=1/C26H25NO4/c28-25(29)16-19(15-14-18-8-2-1-3-9-18)27-26(30)31-17-24-22-12-6-4-10-20(22)21-11-5-7-13-23(21)24/h1-13,19,24H,14-17H2,(H,27,30)(H,28,29)/t19-/m0/s1
(3)InChIKey: FYJRCXFXXJMPFO-IBGZPJMEBY