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CAS No.: | 145038-53-5 |
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Name: | Fmoc-L-Aspartic acid 4-methyl ester |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C20H19NO6 |
Molecular Weight: | 369.374 |
Synonyms: | N-9-Fluorenylmethoxycarbonylasparticacid b-methyl ester;Fmoc-Asp(Ome)-OH; |
Density: | 1.323 g/cm3 |
Melting Point: | 122-125 °C(Solv: hexane (110-54-3)) |
Boiling Point: | 613.712 °C at 760 mmHg |
Flash Point: | 324.962 °C |
PSA: | 101.93000 |
LogP: | 2.93230 |
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The L-Aspartic acid,N-[(9H-fluoren-9-ylmethoxy)carbonyl]-, 4-methyl ester, with the CAS registry number 145038-53-5, is also known as Fmoc-Asp(OMe)-OH and Fmoc-L-Aspartic acid 4-methyl ester. It belongs to the product categories of Aspartic Acid [Asp, D]; Fmoc-Amino Acids and Derivatives. This chemical's molecular formula is C20H19NO6 and molecular weight is 369.37. What's more, its systematic name is called (2S)-2-(9H-Fluoren-9-ylmethoxycarbonylamino)-4-methoxy-4-oxo-butanoic acid.
Physical properties about L-Aspartic acid,N-[(9H-fluoren-9-ylmethoxy)carbonyl]-, 4-methyl ester are: (1)ACD/LogP: 4.00; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.662; (4)ACD/LogD (pH 7.4): 0.365; (5)ACD/BCF (pH 5.5): 2.972; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 16.488; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 7; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 101.93 Å2; (13)Index of Refraction: 1.596; (14)Molar Refractivity: 94.954 cm3; (15)Molar Volume: 279.221 cm3; (16)Surface Tension: 56.761 dyne/cm; (17)Density: 1.323 g/cm3; (18)Flash Point: 324.962 °C; (19)Enthalpy of Vaporization: 95.758 kJ/mol; (20)Boiling Point: 613.712 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: COC(=O)C[C@@H](C(=O)O)NC(=O)OCC1c2ccccc2-c3c1cccc3
(2) InChI: InChI=1/C20H19NO6/c1-26-18(22)10-17(19(23)24)21-20(25)27-11-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16/h2-9,16-17H,10-11H2,1H3,(H,21,25)(H,23,24)/t17-/m0/s1
(3) InChIKey: HSOKCYGOTGVDHL-KRWDZBQOBU