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CAS No.: | 131570-57-5 |
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Name: | BOC-D-DAB(FMOC)-OH |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C24H28N2O6 |
Molecular Weight: | 440.496 |
Synonyms: | Butanoicacid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-4-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-,(R)-; |
EINECS: | 1533716-785-6 |
Density: | 1.244 g/cm3 |
Boiling Point: | 670.91 °C at 760 mmHg |
Flash Point: | 359.554 °C |
PSA: | 113.96000 |
LogP: | 4.67490 |
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This chemical is called Butanoic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-4-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-,(2R)-, and its CAS registry number is 131570-57-5. With the molecular formula of C24H28N2O6, its molecular weight is 440.49. Additionally, it should be stored at 2-8°C.
Other characteristics of the Butanoic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-4-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-,(2R)- can be summarised as followings: (1)ACD/LogP: 4.97; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.84; (4)ACD/LogD (pH 7.4): 1.4 ; (5)#H bond acceptors: 8; (6)#H bond donors: 3; (7)#Freely Rotating Bonds: 10; (8)Polar Surface Area: 113.96 Å2; (9)Index of Refraction: 1.575; (10)Molar Refractivity: 117.04 cm3; (11)Molar Volume: 354.1 cm3; (12)Polarizability: 46.4×10-24cm3; (13)Surface Tension: 51.4 dyne/cm; (14)Density: 1.243 g/cm3; (15)Flash Point: 359.6 °C; (16)Enthalpy of Vaporization: 103.56 kJ/mol; (17)Boiling Point: 670.9 °C at 760 mmHg; (18)Vapour Pressure: 6.47E-19 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: OC(=O)[C@H](NC(=O)OC(C)(C)C)CCNC(=O)OCC3c1ccccc1c2ccccc23
2.InChI: InChI=1/C24H28N2O6/c1-24(2,3)32-23(30)26-20(21(27)28)12-13-25-22(29)31-14-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h4-11,19-20H,12-14H2,1-3H3,(H,25,29)(H,26,30)(H,27,28)/t20-/m1/s1
3.InChIKey: MJZDTTZGQUEOBL-HXUWFJFHBM