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332064-94-5

Basic Information
CAS No.: 332064-94-5
Name: Fmoc-(R)-3-Amino-5-Hexynoic Acid
Molecular Structure:
Molecular Structure of 332064-94-5 (Fmoc-(R)-3-Amino-5-Hexynoic Acid)
Formula: C21H19NO4
Molecular Weight: 349.38
Synonyms: Fmoc-D-β-HoGly(Propargyl)-OH;(3R)-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}hex-5-ynoic acid;(R)-3-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)hex-5-ynoic acid;
Density: 1.265 g/cm3
Melting Point: 152-153℃
Boiling Point: 591.5 °C at 760 mmHg
Flash Point: 311.5 °C
PSA: 75.63000
LogP: 3.78260
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Specification

The Fmoc-(R)-3-Amino-5-Hexynoic Acid, with the CAS registry number 332064-94-5, is also known as Fmoc-D-β-HoGly(Propargyl)-OH. It belongs to the product categories of 3-Amino-4-phenylbutanoic Acid Analogs; B-Amino. This chemical's molecular formula is C21H19NO4 and molecular weight is 349.38. What's more, its systematic name is (3R)-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}hex-5-ynoic acid.

Physical properties of Fmoc-(R)-3-Amino-5-Hexynoic Acid are: (1)ACD/LogP: 4.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.8; (4)ACD/LogD (pH 7.4): 1.04; (5)ACD/BCF (pH 5.5): 37.11; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 187.06; (8)ACD/KOC (pH 7.4): 3.25; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 55.84 Å2; (13)Index of Refraction: 1.609; (14)Molar Refractivity: 95.64 cm3; (15)Molar Volume: 276 cm3; (16)Polarizability: 37.91×10-24cm3; (17)Surface Tension: 57.6 dyne/cm; (18)Density: 1.265 g/cm3; (19)Flash Point: 311.5 °C; (20)Enthalpy of Vaporization: 92.79 kJ/mol; (21)Boiling Point: 591.5 °C at 760 mmHg; (22)Vapour Pressure: 7.74E-15 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)CC#C
(2)InChI: InChI=1S/C21H19NO4/c1-2-7-14(12-20(23)24)22-21(25)26-13-19-17-10-5-3-8-15(17)16-9-4-6-11-18(16)19/h1,3-6,8-11,14,19H,7,12-13H2,(H,22,25)(H,23,24)/t14-/m1/s1
(3)InChIKey: ALHPEVGGGAQSCG-CQSZACIVSA-N