-
Name
FMOC-(S)-3-AMINO-3-(4-FLUORO-PHENYL)-PROPIONIC ACID
- EINECS
- CAS No. 479064-89-6
- Density 1.316 g/cm3
- Solubility
- Melting Point
- Formula C24H20FNO4
- Boiling Point 617.6 °C at 760 mmHg
- Molecular Weight 405.426
- Flash Point 327.3 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
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Molecular Structure
- Hazard Symbols
- Synonyms Fmoc-(s)-3-amino-3-(4-fluoro-phenyl)-propionic acid;
- PSA 75.63000
- LogP 5.27110
(3S)-3-{[(9H-Fluoren-9-ylmethoxy)carbonyl]amino}-3-(4-fluorophenyl)propanoic acid Specification
This chemical is called (3S)-3-{[(9H-Fluoren-9-ylmethoxy)carbonyl]amino}-3-(4-fluorophenyl)propanoic acid, and its CAS registry number is 479064-89-6. With the molecular formula of C24H20FNO4, its molecular weight is 405.42. Additionally, its product categories are 3-Amino-3-phenylpropanoic Acid Analogs; B-Amino.
Other characteristics of the (3S)-3-{[(9H-Fluoren-9-ylmethoxy)carbonyl]amino}-3-(4-fluorophenyl)propanoic acid can be summarised as followings: (1)ACD/LogP: 5.21; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 3.83; (4)ACD/LogD (pH 7.4): 2.07; (5)ACD/BCF (pH 5.5): 222.47; (6)ACD/BCF (pH 7.4): 3.86; (7)ACD/KOC (pH 5.5): 674.41; (8)ACD/KOC (pH 7.4): 11.7; (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: 1.621; (14)Molar Refractivity: 108.43 cm3; (15)Molar Volume: 308 cm3; (16)Polarizability: 42.98×10-24cm3; (17)Surface Tension: 56 dyne/cm; (18)Density: 1.316 g/cm3; (19)Flash Point: 327.3 °C; (20)Enthalpy of Vaporization: 96.28 kJ/mol; (21)Boiling Point: 617.6 °C at 760 mmHg; (22)Vapour Pressure: 4.11E-16 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Fc1ccc(cc1)[C@@H](NC(=O)OCC4c2ccccc2c3c4cccc3)CC(=O)O
2.InChI: InChI=1/C24H20FNO4/c25-16-11-9-15(10-12-16)22(13-23(27)28)26-24(29)30-14-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-12,21-22H,13-14H2,(H,26,29)(H,27,28)/t22-/m0/s1
3.InChIKey: PQXRHKBSMBRBBW-QFIPXVFZBJ
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