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CAS No.: | 286460-71-7 |
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Name: | FMOC-PHE-OH |
Molecular Structure: | |
Formula: | C24H21NO4 |
Molecular Weight: | 389.413 |
Synonyms: | Fmoc-phe;Fmoc-l-phe-OH;Fmoc-phenylalanine;9-Fluorenylmethoxycarbonyl-l-phenylalanine; |
EINECS: | 252-661-1 |
Density: | 1.276 g/cm3 |
Melting Point: | 180-187 °C(lit.) |
Boiling Point: | 620.1 °C at 760 mmHg |
Flash Point: | 328.8 °C |
Safety: | 22-24/25 |
PSA: | 75.63000 |
LogP: | 4.61190 |
The CAS register number of L-Phenylalanine-a-13C,N-[(9H-fluoren-9-ylmethoxy)carbonyl]- (9CI) is 286460-71-7. It also can be called as 9-Fluorenylmethoxycarbonyl-l-phenylalanine and the IUPAC name about this chemical is (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoic acid. The molecular formula about this chemical is C24H21NO4 and the molecular weight is 387.43. If you want to use this chemical, do not breathe dust and avoid contact with skin and eyes.
Physical properties about L-Phenylalanine-a-13C,N-[(9H-fluoren-9-ylmethoxy)carbonyl]- (9CI) are: (1)ACD/LogP: 5.41; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 3.26; (4)ACD/LogD (pH 7.4): 1.83; (5)ACD/BCF (pH 5.5): 54.14; (6)ACD/BCF (pH 7.4): 2.01; (7)ACD/KOC (pH 5.5): 148.89; (8)ACD/KOC (pH 7.4): 5.54; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 55.84 Å2; (13)Index of Refraction: 1.633; (14)Molar Refractivity: 108.4 cm3; (15)Molar Volume: 303.4 cm3; (16)Polarizability: 42.97x10-24cm3; (17)Surface Tension: 57.1 dyne/cm; (18)Density: 1.276 g/cm3; (19)Flash Point: 328.8 °C; (20)Enthalpy of Vaporization: 96.62 kJ/mol; (21)Boiling Point: 620.1 °C at 760 mmHg; (22)Vapour Pressure: 3.07E-16 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@@H](NC(=O)OCC3c1ccccc1c2c3cccc2)Cc4ccccc4
(2)InChI: InChI=1/C24H21NO4/c26-23(27)22(14-16-8-2-1-3-9-16)25-24(28)29-15-21-19-12-6-4-10-17(19)18-11-5-7-13-20(18)21/h1-13,21-22H,14-15H2,(H,25,28)(H,26,27)/t22-/m0/s1
(3)InChIKey: SJVFAHZPLIXNDH-QFIPXVFZBJ
(4)Std. InChI: InChI=1S/C24H21NO4/c26-23(27)22(14-16-8-2-1-3-9-16)25-24(28)29-15-21-19-12-6-4-10-17(19)18-11-5-7-13-20(18)21/h1-13,21-22H,14-15H2,(H,25,28)(H,26,27)/t22-/m0/s1
(5)Std. InChIKey: SJVFAHZPLIXNDH-QFIPXVFZSA-N