D-Phenylalanine,N-[(9H-fluoren-9-ylmethoxy)carbonyl]-2-nitro- supplier

Name
FMOC-D-2-NITROPHENYLALANINE
EINECS
CAS No. 478183-70-9
Article Data1
CAS DataBase
Density 1.371g/cm³
Solubility
Melting Point
Formula C₂₄H₂₀N₂O₆
Boiling Point 672.7 °C at 760 mmHg
Molecular Weight 432.433
Flash Point 360.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms (R)-N-ALPHA-(9-FLUORENYLMETHOXYCARBONYL)-2-AMINO-3-(2-NITRO-PHENYL)-PROPIONIC ACID;N-ALPHA-(9-FLUORENYLMETHOXYCARBONYL)-D-(2-NITROPHENYL)ALANINE;FMOC-D-2-NITROPHE;FMOC-D-2-NITROPHENYLALANINE;FMOC-D-PHE(2-NO2)-OH;FMOC-2-NITRO-D-PHENYLALANINE;2-Nitro-D-phenylalanine, N-FMOC protected;(R)-2-(((9H-fluoren-9-yl)methoxy)carbonylamino)-3-(2-nitrophenyl)propanoic acid
PSA 121.45000
LogP 5.04330

D-Phenylalanine,N-[(9H-fluoren-9-ylmethoxy)carbonyl]-2-nitro- Specification

The D-Phenylalanine,N-[(9H-fluoren-9-ylmethoxy)carbonyl]-2-nitro-, with CAS registry number 478183-70-9, belongs to the following product categories: (1)Amino Acids; (2)Phenylalanine analogs and other aromatic alpha amino acids; (3)Amino Acid Derivatives. It has the systematic name of N-[(9H-fluoren-9-ylmethoxy)carbonyl]-2-nitro-D-phenylalanine. This chemical should be stored at the temperature of 0-5°C.

Physical properties of D-Phenylalanine,N-[(9H-fluoren-9-ylmethoxy)carbonyl]-2-nitro-: (1)ACD/LogP: 5.14; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 2.81; (4)ACD/LogD (pH 7.4): 1.51; (5)ACD/BCF (pH 5.5): 22.35; (6)ACD/BCF (pH 7.4): 1.11; (7)ACD/KOC (pH 5.5): 70.31; (8)ACD/KOC (pH 7.4): 3.49; (9)#H bond acceptors: 8; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 101.66 Å²; (13)Index of Refraction: 1.649; (14)Molar Refractivity: 114.94 cm³; (15)Molar Volume: 315.2 cm³; (16)Polarizability: 45.56×10^-24cm³; (17)Surface Tension: 63.4 dyne/cm; (18)Enthalpy of Vaporization: 103.8 kJ/mol; (19)Vapour Pressure: 5.18E-19 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1ccccc1C[C@H](C(=O)O)NC(=O)OCC4c2ccccc2c3c4cccc3
(2)InChI: InChI=1/C24H20N2O6/c27-23(28)21(13-15-7-1-6-12-22(15)26(30)31)25-24(29)32-14-20-18-10-4-2-8-16(18)17-9-3-5-11-19(17)20/h1-12,20-21H,13-14H2,(H,25,29)(H,27,28)/t21-/m1/s1
(3)InChIKey: KVLRWXBYPKSBFY-OAQYLSRUBM
(4)Std. InChI: InChI=1S/C24H20N2O6/c27-23(28)21(13-15-7-1-6-12-22(15)26(30)31)25-24(29)32-14-20-18-10-4-2-8-16(18)17-9-3-5-11-19(17)20/h1-12,20-21H,13-14H2,(H,25,29)(H,27,28)/t21-/m1/s1
(5)Std. InChIKey: KVLRWXBYPKSBFY-OAQYLSRUSA-N

Product Name

FMOC-D-2-NITROPHENYLALANINE

D-Phenylalanine,N-[(9H-fluoren-9-ylmethoxy)carbonyl]-2-nitro- Specification

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