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| CAS No.: | 197632-76-1 |
|---|---|
| Name: | FMOC-N-ME-LYS(BOC)-OH |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C27H34N2O6 |
| Molecular Weight: | 482.57 |
| Synonyms: | N'-[(tert-Butoxy)carbonyl]-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-N-methyl-L-lysine;N6-[(1,1-Dimethylethoxy)carbonyl]-N2-[(9H-fluoren-9-ylmethoxy)carbonyl]-N2-methyl-L-lysine; |
| Density: | 1.2 g/cm3 |
| Melting Point: | 189-194°C (decomposition) |
| Boiling Point: | 665.36 °C at 760 mmHg |
| Flash Point: | 356.197 °C |
| PSA: | 105.17000 |
| LogP: | 5.40640 |
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Specification
The N'-Cbz-N-Fmoc-N-methyl-L-lysine, with the CAS registry number 197632-76-1, is also known as N'-[(tert-Butoxy)carbonyl]-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-N-methyl-L-lysine. It belongs to the product category of Amino Acids. This chemical's molecular formula is C27H34N2O6 and molecular weight is 482.57. What's more, its systematic name is (2S)-6-(tert-Butoxycarbonylamino)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]hexanoic acid.
Physical properties of N'-Cbz-N-Fmoc-N-methyl-L-lysine are: (1)ACD/LogP: 5.595; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 3.53; (4)ACD/LogD (pH 7.4): 2.05; (5)ACD/BCF (pH 5.5): 90.73; (6)ACD/BCF (pH 7.4): 3.00; (7)ACD/KOC (pH 5.5): 227.11; (8)ACD/KOC (pH 7.4): 7.51; (9)#H bond acceptors: 8; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 12; (12)Polar Surface Area: 105.17 Å2; (13)Index of Refraction: 1.566; (14)Molar Refractivity: 131.071 cm3; (15)Molar Volume: 402.069 cm3; (16)Polarizability: 51.961×10-24cm3; (17)Surface Tension: 49.352 dyne/cm; (18)Density: 1.2 g/cm3; (19)Flash Point: 356.197 °C; (20)Enthalpy of Vaporization: 102.789 kJ/mol; (21)Boiling Point: 665.36 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)OC(=O)NCCCC[C@@H](C(=O)O)N(C)C(=O)OCC1c2ccccc2-c3c1cccc3
(2)Std. InChI: InChI=1S/C27H34N2O6/c1-27(2,3)35-25(32)28-16-10-9-15-23(24(30)31)29(4)26(33)34-17-22-20-13-7-5-11-18(20)19-12-6-8-14-21(19)22/h5-8,11-14,22-23H,9-10,15-17H2,1-4H3,(H,28,32)(H,30,31)/t23-/m0/s1
(3)Std. InChIKey: JMBKBGOKNZZJQA-QHCPKHFHSA-N