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| CAS No.: | 269398-87-0 |
|---|---|
| Name: | FMOC-(R)-3-AMINO-5-PHENYLPENTANOIC ACID |
| Molecular Structure: | |
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| Formula: | C26H25NO4 |
| Molecular Weight: | 415.48 |
| Synonyms: | (R)-N-(9-Fluorenylmethyloxycarbonyl)-3-amino-5-phenylpentanoic acid;Fmoc-5-phenyl-D-beta-norvaline; |
| Density: | 1.235 g/cm3 |
| Boiling Point: | 657.539 °C at 760 mmHg |
| Flash Point: | 351.467 °C |
| Safety: | 22-24/25 |
| PSA: | 75.63000 |
| LogP: | 5.39210 |
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Specification
The (R)-3-(Fmoc-amino)-5-phenylpentanoic acid with the CAS number 269398-87-0 is also called Benzenepentanoic acid, b-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-,(bR)-. The systematic name is (3R)-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-5-phenylpentanoic acid. This chemical belongs to the following product categories: (1)3-Amino-4-phenylbutanoic Acid Analogs; (2)B-Amino. This chemical is irritant. While using this chemical, you should take the following instructions: (1)Do not breathe dust; (2)Avoid contact with skin and eyes.
The properties of the chemical are: (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)Enthalpy of Vaporization: 101.71 kJ/mol; (19)Vapour Pressure: 3.47×10-18 mmHg at 25°C.
You can still convert the following datas into 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-/m1/s1
(3)InChIKey: FYJRCXFXXJMPFO-LJQANCHMBQ