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Fmoc-(R)-3-amino-4-(4-iodo-phenyl)-butyric acid

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Name

Fmoc-(R)-3-amino-4-(4-iodo-phenyl)-butyric acid

EINECS N/A
CAS No. 269396-73-8 Density 1.542 g/cm3
PSA 75.63000 LogP 5.60660
Solubility N/A Melting Point N/A
Formula C25H22INO4 Boiling Point 671.264 °C at 760 mmHg
Molecular Weight 527.35 Flash Point 359.768 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 269396-73-8 (Fmoc-(R)-3-amino-4-(4-iodo-phenyl)-butyric acid) Hazard Symbols N/A
Synonyms

Benzenebutanoic acid, beta-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-4-iodo-,(betaR)-;

 

Fmoc-(R)-3-amino-4-(4-iodo-phenyl)-butyric acid Specification

The Fmoc-(R)-3-amino-4-(4-iodo-phenyl)-butyric acid, with the CAS registry number 269396-73-8, is also known as Benzenebutanoic acid, beta-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-4-iodo-,(betaR)-. It belongs to the product categories of 3-Amino-4-phenylbutyric Acid Analogs; 3-Amino-4-phenylbutanoic Acid Analogs. This chemical's molecular formula is C25H22INO4 and molecular weight is 527.35. What's more, its systematic name is (3R)-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-4-(4-iodophenyl)butanoic acid. It is irritant.

Physical properties of Fmoc-(R)-3-amino-4-(4-iodo-phenyl)-butyric acid are: (1)ACD/LogP: 6.65; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 5.36; (4)ACD/LogD (pH 7.4): 3.59; (5)ACD/BCF (pH 5.5): 3438.36; (6)ACD/BCF (pH 7.4): 57.37; (7)ACD/KOC (pH 5.5): 5081.51; (8)ACD/KOC (pH 7.4): 84.79; (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: 1.657; (14)Molar Refractivity: 125.94 cm3; (15)Molar Volume: 342 cm3; (16)Surface Tension: 59.4 dyne/cm; (17)Density: 1.541 g/cm3; (18)Flash Point: 359.8 °C; (19)Enthalpy of Vaporization: 103.6 kJ/mol; (20)Boiling Point: 671.3 °C at 760 mmHg; (21)Vapour Pressure: 6.19E-19 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Ic1ccc(cc1)C[C@@H](NC(=O)OCC4c2ccccc2c3c4cccc3)CC(=O)O
(2)InChI: InChI=1S/C25H22INO4/c26-17-11-9-16(10-12-17)13-18(14-24(28)29)27-25(30)31-15-23-21-7-3-1-5-19(21)20-6-2-4-8-22(20)23/h1-12,18,23H,13-15H2,(H,27,30)(H,28,29)/t18-/m1/s1
(3)InChIKey: HTZYQICRFPOZOG-GOSISDBHSA-N

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