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Name |
4-Pentenoic acid,2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-5-phenyl-, (2S)- |
EINECS | N/A |
CAS No. | 215190-24-2 | Density | 1.26g/cm3 |
PSA | 66.84000 | LogP | 5.38150 |
Solubility | N/A | Melting Point |
141.7 °C |
Formula | C26H23NO4 | Boiling Point | 683.3 °C at 760 mmHg |
Molecular Weight | 413.473 | Flash Point | 367 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 24/25 | Risk Codes | N/A |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
RARECHEM BK PT 0179;(S)-2-(FMOC-AMINO)-5-PHENYL-4-PENTENOIC ACID;(S)-N-FMOC-STYRYLALANINE;(S)-N-(9-FLUORENYLMETHOXYCARBONYL)-2-AMINO-5-PHENYL-4-PENTENOIC ACID;N-ALPHA-(9-FLUORENYLMETHOXYCARBONYL)-2-STYRYL-L-ALANINE;FMOC-3-STYRYL-L-ALANINE;FMOC-ALA(STYR)-OH;FMOC-ALA(STYRYL)-OH |
The 4-Pentenoic acid,2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-5-phenyl-, (2S)-, with CAS registry number 215190-24-2, belongs to the following product categories: (1)Amino Acids; (2)Phenylalanine analogs and other aromatic alpha amino acids; (3)Amino Acid Derivatives; (4)A-amino. It has the systematic name of (2S,4E)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-5-phenylpent-4-enoic acid. This chemical should be stored at the temperature of 2-8°C. When use this chemical, avoid contact with skin and eyes. And the chemical formula of this chemical is C26H23NO4.
Physical properties of 4-Pentenoic acid,2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-5-phenyl-, (2S)-: (1)ACD/LogP: 5.96; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 3.82; (4)ACD/LogD (pH 7.4): 2.39; (5)ACD/BCF (pH 5.5): 145.39; (6)ACD/BCF (pH 7.4): 5.34; (7)ACD/KOC (pH 5.5): 303.48; (8)ACD/KOC (pH 7.4): 11.16; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 55.84 Å2; (13)Index of Refraction: 1.647; (14)Molar Refractivity: 119.37 cm3; (15)Molar Volume: 328 cm3; (16)Polarizability: 47.32×10-24cm3; (17)Surface Tension: 56.7 dyne/cm; (18)Density: 1.26 g/cm3; (19)Flash Point: 367 °C; (20)Enthalpy of Vaporization: 105.27 kJ/mol; (21)Boiling Point: 683.3 °C at 760 mmHg; (22)Vapour Pressure: 1.31E-19 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@@H](NC(=O)OCC3c1ccccc1c2c3cccc2)C\C=C\c4ccccc4
(2)InChI: InChI=1/C26H23NO4/c28-25(29)24(16-8-11-18-9-2-1-3-10-18)27-26(30)31-17-23-21-14-6-4-12-19(21)20-13-5-7-15-22(20)23/h1-15,23-24H,16-17H2,(H,27,30)(H,28,29)/b11-8+/t24-/m0/s1
(3)InChIKey: ZFMHHKMOLFNMMV-DDVUFSRBBW
(4)Std. InChI: InChI=1S/C26H23NO4/c28-25(29)24(16-8-11-18-9-2-1-3-10-18)27-26(30)31-17-23-21-14-6-4-12-19(21)20-13-5-7-15-22(20)23/h1-15,23-24H,16-17H2,(H,27,30)(H,28,29)/b11-8+/t24-/m0/s1
(5)Std. InChIKey: ZFMHHKMOLFNMMV-DDVUFSRBSA-N