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| CAS No.: | 159751-47-0 |
|---|---|
| Name: | FMOC-AAD(OTBU)-OH |
| Molecular Structure: | |
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| Formula: | C25H29NO6 |
| Molecular Weight: | 439.508 |
| Synonyms: | Hexanedioicacid, 2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, 6-(1,1-dimethylethyl)ester, (S)-;6-tert-butoxy-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-6-oxo-L-norleucine; |
| Density: | 1.215 g/cm3 |
| Melting Point: | 108-112 °C |
| Boiling Point: | 625.546 °C at 760 mmHg |
| Flash Point: | 332.118 °C |
| Appearance: | White powder |
| PSA: | 101.93000 |
| LogP: | 4.88120 |
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Specification
The Hexanedioic acid,2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, 6-(1,1-dimethylethyl) ester,(2S)-, with the CAS registry number 159751-47-0, has the systematic of 6-tert-butoxy-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-6-oxo-L-norleucine. It is a kind of white powder, and belongs to the product category of Pharmacetical. And this chemical should be stored at 2-8°C. The molecular formula of the chemical is C25H29NO6.
The characteristics of Hexanedioic acid,2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, 6-(1,1-dimethylethyl) ester,(2S)- are as followings: (1)ACD/LogP: 5.33; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 3.27; (4)ACD/LogD (pH 7.4): 1.79; (5)ACD/BCF (pH 5.5): 57.48; (6)ACD/BCF (pH 7.4): 1.89; (7)ACD/KOC (pH 5.5): 164.22; (8)ACD/KOC (pH 7.4): 5.4; (9)#H bond acceptors: 7; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 11; (12)Polar Surface Area: 82.14 Å2; (13)Index of Refraction: 1.566; (14)Molar Refractivity: 118.08 cm3; (15)Molar Volume: 361.8 cm3; (16)Polarizability: 46.81×10-24cm3; (17)Surface Tension: 49.6 dyne/cm; (18)Density: 1.214 g/cm3; (19)Flash Point: 332.1 °C; (20)Enthalpy of Vaporization: 97.35 kJ/mol; (21)Boiling Point: 625.5 °C at 760 mmHg; (22)Vapour Pressure: 1.64E-16 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(OC(C)(C)C)CCC[C@@H](C(=O)O)NC(=O)OCC3c1ccccc1c2c3cccc2
(2)InChI: InChI=1/C25H29NO6/c1-25(2,3)32-22(27)14-8-13-21(23(28)29)26-24(30)31-15-20-18-11-6-4-9-16(18)17-10-5-7-12-19(17)20/h4-7,9-12,20-21H,8,13-15H2,1-3H3,(H,26,30)(H,28,29)/t21-/m0/s1
(3)InChIKey: FFLAQPKWVSSKJC-NRFANRHFBX