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N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-α-methyl-D-phenylalanine

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Name

N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-α-methyl-D-phenylalanine

EINECS N/A
CAS No. 152436-04-9 Density 1.256 g/cm3
PSA 75.63000 LogP 5.00200
Solubility N/A Melting Point N/A
Formula C25H23NO5 Boiling Point 621.214 °C at 760 mmHg
Molecular Weight 401.462 Flash Point 329.498 °C
Transport Information N/A Appearance N/A
Safety 23-24/25-36/37 Risk Codes 36/37/38-40-67
Molecular Structure Molecular Structure of 152436-04-9 (FMOC-D-4-METHOXYPHE) Hazard Symbols N/A
Synonyms

Fmoc-D-4-Methoxyphe;

Article Data 2

N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-α-methyl-D-phenylalanine Specification

The systematic name of Fmoc-D-4-Methoxyphe is N-[(9H-fluoren-9-ylmethoxy)carbonyl]-α-methyl-D-phenylalanine. With the CAS registry number , it is also named as (R)-N-Fmoc-α-Methylphenylalanine. The product's category is Unusual Amino Acids. Besides, it should be stored at -15 °C. In addition, its molecular formula is C25H23NO5 and molecular weight is 417.45.

The other characteristics of Fmoc-D-4-Methoxyphe can be summarized as: (1)ACD/LogP: 5.76; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 3.68; (4)ACD/LogD (pH 7.4): 2.21; (5)ACD/BCF (pH 5.5): 117.71; (6)ACD/BCF (pH 7.4): 3.94; (7)ACD/KOC (pH 5.5): 272.07; (8)ACD/KOC (pH 7.4): 9.11; (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: 1.625; (14)Molar Refractivity: 113.04 cm3; (15)Molar Volume: 319.6 cm3; (16)Polarizability: 44.81×10-24cm3; (17)Surface Tension: 55.3 dyne/cm; (18)Density: 1.256 g/cm3; (19)Flash Point: 329.5 °C; (20)Enthalpy of Vaporization: 96.77 kJ/mol; (21)Boiling Point: 621.2 °C at 760 mmHg; (22)Vapour Pressure: 2.71E-16 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: O=C(O)[C@@](NC(=O)OCC3c1ccccc1c2c3cccc2)(C)Cc4ccccc4
(2)InChI: InChI=1/C25H23NO4/c1-25(23(27)28,15-17-9-3-2-4-10-17)26-24(29)30-16-22-20-13-7-5-11-18(20)19-12-6-8-14-21(19)22/h2-14,22H,15-16H2,1H3,(H,26,29)(H,27,28)/t25-/m1/s1
(3)InChIKey: KLBKBAAOPOXFSK-RUZDIDTEBZ
(4)Std. InChI: InChI=1S/C25H23NO4/c1-25(23(27)28,15-17-9-3-2-4-10-17)26-24(29)30-16-22-20-13-7-5-11-18(20)19-12-6-8-14-21(19)22/h2-14,22H,15-16H2,1H3,(H,26,29)(H,27,28)/t25-/m1/s
(5)Std. InChIKey: KLBKBAAOPOXFSK-RUZDIDTESA-N

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