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L-Phenylalanine,N-[(9H-fluoren-9-ylmethoxy)carbonyl]-2-methyl- (211637-75-1)

Identification
Name:L-Phenylalanine,N-[(9H-fluoren-9-ylmethoxy)carbonyl]-2-methyl-
Synonyms:Fmoc-2-methyl-L-phenylalanine;Fmoc-Phe(2-Me)-OH;Fmoc-L-2-Methylphe;Fluorenylmethoxycarbonyl-L-2-methylphenylalanine;
CAS:211637-75-1
Molecular Formula: C25H23NO4
Molecular Weight: 401.46
InChI: InChI=1/C24H21NO4/c1-15-8-2-3-9-16(15)14-21(23(26)27)25-24(28)29-22-19-12-6-4-10-17(19)18-11-5-7-13-20(18)22/h2-13,21-22H,14H2,1H3,(H,25,28)(H,26,27)/t21-/m0/s1
Molecular Structure: (C25H23NO4) Fmoc-2-methyl-L-phenylalanine;Fmoc-Phe(2-Me)-OH;Fmoc-L-2-Methylphe;Fluorenylmethoxycarbonyl-L-2-meth...
Properties
Density:1.31g/cm3
Refractive index:1.664
Alpha:-45 º (C=1,DMF)
Specification:

The IUPAC name of Fmoc-2-methyl-L-phenylalanine is (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(2-methylphenyl)propanoic acid. With the CAS registry number 211637-75-1, it is also named as Fluorenylmethoxycarbonyl-L-2-methylphenylalanine. The product's categories are Amino Acids; Phenylalanine Analogs and other Aromatic Alpha Amino Acids; A-Amino. In addition, its molecular formula is C25H23NO4 and its molecular weight is 401.46. This chemcal should be stored at 2-8 °C.

The other characteristics of Fmoc-2-methyl-L-phenylalanine can be summarized as: (1)ACD/LogP: 5.87; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 3.76; (4)ACD/LogD (pH 7.4): 2.31; (5)ACD/BCF (pH 5.5): 132.49; (6)ACD/BCF (pH 7.4): 4.65; (7)ACD/KOC (pH 5.5): 289.84; (8)ACD/KOC (pH 7.4): 10.17; (9)H bond acceptors: 5; (10)H bond donors: 2; (11)Freely Rotating Bonds: 7; (12)Index of Refraction: 1.626; (13)Molar Refractivity: 113.22 cm3; (14)Molar Volume: 319.7 cm3; (15)Surface Tension: 55.3 dyne/cm; (16)Density: 1.255 g/cm3; (17)Flash Point: 335.4 °C; (18)Melting point: 118 °C; (19)alpha: -45 °(c=1,DMF); (20)Enthalpy of Vaporization: 98.1 kJ/mol; (21)Boiling Point: 631.1 °C at 760 mmHg; (22)Vapour Pressure: 8.58E-17 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:O=C(O)[C@H](NC(=O)OCC3c1ccccc1c2c3cccc2)Cc4ccccc4C
(2)InChI:InChI=1/C25H23NO4/c1-16-8-2-3-9-17(16)14-23(24(27)28)26-25(29)30-15-22-20-12-6-4-10-18(20)19-11-5-7-13-21(19)22/h2-13,22-23H,14-15H2,1H3,(H,26,29)(H,27,28)/t23-/m1/s1
(3)InChIKey:GYFMRMRGTNDDAT-HSZRJFAPBA
(4)Std. InChI:InChI=1S/C25H23NO4/c1-16-8-2-3-9-17(16)14-23(24(27)28)26-25(29)30-15-22-20-12-6-4-10-18(20)19-11-5-7-13-21(19)22/h2-13,22-23H,14-15H2,1H3,(H,26,29)(H,27,28)/t23-/m1/s1
(5)Std. InChIKey:GYFMRMRGTNDDAT-HSZRJFAPSA-N

Storage Temperature: 2-8°C
Safety Data
 

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