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CAS No.: | 270596-45-7 |
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Name: | Fmoc-(S)-3-Amino-(6-phenyl)-5-hexenoic acid |
Molecular Structure: | |
Formula: | C27H25NO4 |
Molecular Weight: | 427.49 |
Synonyms: | Fmoc-4-styryl-L-β-homoalanine;(S)-3-(Fmoc-amino)-6-phenyl-5-hexenoic acid;(3S,5E)-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-6-phenylhex-5-enoic acid;5-Hexenoic acid,3-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-6-phenyl-, (3S)-; |
Density: | 1.24 g/cm3 |
Boiling Point: | 694.5 °C at 760 mmHg |
Flash Point: | 373.8 °C |
Safety: | 22-24/25 |
PSA: | 75.63000 |
LogP: | 5.86280 |
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The Fmoc-(S)-3-Amino-(6-phenyl)-5-hexenoic acid, with the CAS registry number 270596-45-7, is also known as 5-Hexenoic acid,3-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-6-phenyl-, (3S)-. It belongs to the product categories of 3-Amino-4-phenylbutanoic Acid Analogs; B-Amino. This chemical's molecular formula is C27H25NO4 and molecular weight is 427.49. What's more, its systematic name is (3S,5E)-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-6-phenylhex-5-enoic acid. You should not breathe dust. When using it, you should avoid contacting with skin and eyes. Its storage temperature is 2 - 8 °C.
Physical properties of Fmoc-(S)-3-Amino-(6-phenyl)-5-hexenoic acid are: (1)ACD/LogP: 5.97; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 4.72; (4)ACD/LogD (pH 7.4): 2.93; (5)ACD/BCF (pH 5.5): 1139.73; (6)ACD/BCF (pH 7.4): 18.73; (7)ACD/KOC (pH 5.5): 2372.48; (8)ACD/KOC (pH 7.4): 38.98; (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: 1.639; (14)Molar Refractivity: 124 cm3; (15)Molar Volume: 344.5 cm3; (16)Surface Tension: 55.4 dyne/cm; (17)Density: 1.24 g/cm3; (18)Flash Point: 373.8 °C; (19)Enthalpy of Vaporization: 106.84 kJ/mol; (20)Boiling Point: 694.5 °C at 760 mmHg; (21)Vapour Pressure: 2.99E-20 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)C\C=C\c4ccccc4
(2)InChI: InChI=1S/C27H25NO4/c29-26(30)17-20(12-8-11-19-9-2-1-3-10-19)28-27(31)32-18-25-23-15-6-4-13-21(23)22-14-5-7-16-24(22)25/h1-11,13-16,20,25H,12,17-18H2,(H,28,31)(H,29,30)/b11-8+/t20-/m0/s1
(3)InChIKey: MLWHGLZHUJARIA-ZBWUASRJSA-N