Fmoc-D-beta-homophenylalanine supplier

Name
Fmoc-D-beta-homophenylalanine
EINECS
CAS No. 209252-16-4
Article Data3
CAS DataBase
Density 1.254 g/cm³
Solubility
Melting Point
Formula C₂₅H₂₃NO₄
Boiling Point 633.2 °C at 760 mmHg
Molecular Weight 401.45
Flash Point 336.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (R)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-phenylbutyricacid;Fmoc-D-beta-homophenylalanine;
PSA 75.63000
LogP 5.00200

Fmoc-D-beta-homophenylalanine Specification

The CAS register number of Fmoc-D-beta-homophenylalanine is 209252-16-4. It also can be called as (R)-3-(9H-Fluoren-9-ylmethoxycarbonylamino)-4-phenylbutyric acid and the systematic name about this chemical is 3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-4-phenylbutanoic acid.

Physical properties about Fmoc-D-beta-homophenylalanine are: (1)ACD/LogP: 5.62; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 4.35; (4)ACD/LogD (pH 7.4): 2.57; (5)ACD/BCF (pH 5.5): 591.33; (6)ACD/BCF (pH 7.4): 9.8; (7)ACD/KOC (pH 5.5): 1459.89; (8)ACD/KOC (pH 7.4): 24.19; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 55.84Å²; (13)Index of Refraction: 1.624; (14)Molar Refractivity: 113.03 cm³; (15)Molar Volume: 319.9 cm³; (16)Polarizability: 44.81x10^-24cm³; (17)Surface Tension: 55.7 dyne/cm; (18)Enthalpy of Vaporization: 98.39 kJ/mol; (19)Boiling Point: 633.2 °C at 760 mmHg; (20)Vapour Pressure: 6.64E-17 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CC(NC(=O)OCC3c1ccccc1c2c3cccc2)Cc4ccccc4
(2)InChI: InChI=1/C25H23NO4/c27-24(28)15-18(14-17-8-2-1-3-9-17)26-25(29)30-16-23-21-12-6-4-10-19(21)20-11-5-7-13-22(20)23/h1-13,18,23H,14-16H2,(H,26,29)(H,27,28)
(3)InChIKey: DQNUGHJJKNFCND-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C25H23NO4/c27-24(28)15-18(14-17-8-2-1-3-9-17)26-25(29)30-16-23-21-12-6-4-10-19(21)20-11-5-7-13-22(20)23/h1-13,18,23H,14-16H2,(H,26,29)(H,27,28)
(5)Std. InChIKey: DQNUGHJJKNFCND-UHFFFAOYSA-N

Product Name

Fmoc-D-beta-homophenylalanine

Fmoc-D-beta-homophenylalanine Specification

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