CAS No.856412-22-1,(S)-N-Fmoc-2-(4'-pentenyl)glycine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	856412-22-1
Name:	(S)-N-Fmoc-2-(4'-pentenyl)glycine
Article Data:	11

Formula:	C₂₂H₂₃NO₄
Molecular Weight:	365.429
Synonyms:	(2S)-2-{[(9H-Fluoren-9-ylmethoxy)carbonyl]amino}-6-heptenoic acid;
Density:	1.2±0.1 g/cm³
Boiling Point:	589.7±45.0 °C at 760 mmHg
Flash Point:	310.5±28.7 °C
PSA:	75.63000
LogP:	4.72550

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Specification

The N-Fmoc-(S)-2-aminohept-6-enoic acid, with the CAS registry number 856412-22-1, is also known as (S)-N-Fmoc-2-(4'-pentenyl)glycine. This chemical's molecular formula is C₂₂H₂₃NO₄ and molecular weight is 365.42. What's more, its systematic name is called (2S)-2-{[(9H-Fluoren-9-ylmethoxy)carbonyl]amino}-6-heptenoic acid.

Physical properties about N-Fmoc-(S)-2-aminohept-6-enoic acid are: (1)ACD/LogP: 5.30±0.41; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 3.29; (4)ACD/LogD (pH 7.4): 1.77; (5)ACD/BCF (pH 5.5): 61.39; (6)ACD/BCF (pH 7.4): 1.88; (7)ACD/KOC (pH 5.5): 178.30; (8)ACD/KOC (pH 7.4): 5.45; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 75.63 Å²; (13)Index of Refraction: 1.587; (14)Molar Refractivity: 102.2±0.3 cm³; (15)Molar Volume: 303.8±3.0 cm³; (16)Polarizability: 40.5±0.5×10^-24cm³; (17)Surface Tension: 50.6±3.0 dyne/cm; (18)Density: 1.2±0.1 g/cm³; (19)Flash Point: 310.5±28.7 °C; (20)Enthalpy of Vaporization: 92.6±3.0 kJ/mol; (21)Boiling Point: 589.7±45.0 °C at 760 mmHg; (22)Vapour Pressure: 0.0±1.7 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: C=CCCC[C@@H](C(=O)O)NC(=O)OCC1c2ccccc2-c3c1cccc3
(2) InChI: InChI=1S/C22H23NO4/c1-2-3-4-13-20(21(24)25)23-22(26)27-14-19-17-11-7-5-9-15(17)16-10-6-8-12-18(16)19/h2,5-12,19-20H,1,3-4,13-14H2,(H,23,26)(H,24,25)/t20-/m0/s1
(3) InChIKey: LRSIYGFZZWFAAI-FQEVSTJZSA-N