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| CAS No.: | 252049-14-2 |
|---|---|
| Name: | FMOC-D-4-TERT-BUTYL-PHE |
| Molecular Structure: | |
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| Formula: | C28H29NO4 |
| Molecular Weight: | 443.53 |
| Synonyms: | RARECHEM BK PT 0192;(R)-3-(4-TERT-BUTYL-PHENYL)-2-(9H-FLUOREN-9-YLMETHOXYCARBONYLAMINO)-PROPIONIC ACID;N-ALPHA-(9-FLUORENYLMETHOXYCARBONYL)-(4-T-BUTYL)-D-PHENYLALANINE;FMOC-4-T-BUTYL-D-PHENYLALANINE;FMOC-D-PHE(4-TBU)-OH;FMOC-D-PHE(P-TBU)-OH;FMOC-D-4-TERT-BUTYL-PHE;FMOC-D-4-TERT-BUTYLPHENYLALANINE |
| Density: | 1.198 g/cm3 |
| Boiling Point: | 637.9 °C at 760 mmHg |
| Flash Point: | 339.6 °C |
| Hazard Symbols: |
 Xi
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| PSA: | 75.63000 |
| LogP: | 5.90940 |
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Specification
This chemical is called 4-tert-butyl-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-D-phenylalanine. With the molecular formula of C28H29NO4, its molecular weight is 443.53. The CAS registry number of this chemical is 252049-14-2. Additionally, its product categories are Amino Acids; Phenylalanine Analogs. It should be stored at the temperature of 2-8°C.
Other characteristics of the 4-tert-butyl-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-D-phenylalanine can be summarised as followings: (1)ACD/LogP: 7.09; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 4.99; (4)ACD/LogD (pH 7.4): 3.53; (5)ACD/BCF (pH 5.5): 1139.27; (6)ACD/BCF (pH 7.4): 39.92; (7)ACD/KOC (pH 5.5): 1353.05; (8)ACD/KOC (pH 7.4): 47.41; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 55.84 Å2; (13)Index of Refraction: 1.6; (14)Molar Refractivity: 126.78 cm3; (15)Molar Volume: 370.1 cm3; (16)Polarizability: 50.26×10-24cm3; (17)Surface Tension: 49.6 dyne/cm; (18)Density: 1.198 g/cm3; (19)Flash Point: 339.6 °C; (20)Enthalpy of Vaporization: 99.02 kJ/mol; (21)Boiling Point: 637.9 °C at 760 mmHg; (22)Vapour Pressure: 3.82E-17 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(O)[C@H](NC(=O)OCC3c1ccccc1c2c3cccc2)Cc4ccc(cc4)C(C)(C)C
2.InChI: InChI=1/C28H29NO4/c1-28(2,3)19-14-12-18(13-15-19)16-25(26(30)31)29-27(32)33-17-24-22-10-6-4-8-20(22)21-9-5-7-11-23(21)24/h4-15,24-25H,16-17H2,1-3H3,(H,29,32)(H,30,31)/t25-/m1/s1
3.InChIKey: OKEORFXNCSRZFL-RUZDIDTEBF