Fmoc-(S)-3-Amino-(6-phenyl)-5-hexenoic acid supplier

Name
Fmoc-(S)-3-Amino-(6-phenyl)-5-hexenoic acid
EINECS
CAS No. 270596-45-7
Density 1.24 g/cm³
Solubility
Melting Point
Formula C₂₇H₂₅NO₄
Boiling Point 694.5 °C at 760 mmHg
Molecular Weight 427.49
Flash Point 373.8 °C
Transport Information
Appearance
Safety 22-24/25
Risk Codes
Molecular Structure
Hazard Symbols
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)-;
PSA 75.63000
LogP 5.86280

Fmoc-(S)-3-Amino-(6-phenyl)-5-hexenoic acid Specification

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

Product Name

Fmoc-(S)-3-Amino-(6-phenyl)-5-hexenoic acid

Fmoc-(S)-3-Amino-(6-phenyl)-5-hexenoic acid Specification

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