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CAS No.: | 204316-32-5 |
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Name: | FMOC-DAB(ALOC)-OH |
Molecular Structure: | |
Formula: | C23H24N2O6 |
Molecular Weight: | 424.45 |
Synonyms: | Butanoicacid, 2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-4-[[(2-propenyloxy)carbonyl]amino]-,(2S)- (9CI);Butanoic acid,2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-4-[[(2-propenyloxy)carbonyl]amino]-,(S)-; |
Density: | 1.275 g/cm3 |
Melting Point: | 124 °C |
Boiling Point: | 676.7 °C at 760 mmHg |
Flash Point: | 363.1 °C |
PSA: | 113.96000 |
LogP: | 4.06240 |
This chemical is called Butanoic acid, 2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-4-[[(2-propen-1-yloxy)carbonyl]amino]-,(2S)-, and its CAS registry number is 424.45. With the molecular formula of C23H24N2O6, its product category is Amino Acids. In addition, it should be stored at 2-8°C.
Other characteristics of the Butanoic acid, 2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-4-[[(2-propen-1-yloxy)carbonyl]amino]-,(2S)- can be summarised as followings: (1)ACD/LogP: 4.57; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.37; (4)ACD/LogD (pH 7.4): 0.98; (5)ACD/BCF (pH 5.5): 11.16; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 46.58; (8)ACD/KOC (pH 7.4): 1.87; (9)#H bond acceptors: 8; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 11; (12)Polar Surface Area: 85.38 Å2; (13)Index of Refraction: 1.589; (14)Molar Refractivity: 112.17 cm3; (15)Molar Volume: 332.6 cm3; (16)Polarizability: 44.46×10-24cm3; (17)Surface Tension: 54.2 dyne/cm; (18)Density: 1.275 g/cm3; (19)Flash Point: 363.1 °C; (20)Enthalpy of Vaporization: 104.36 kJ/mol; (21)Boiling Point: 676.7 °C at 760 mmHg; (22)Vapour Pressure: 3.08E-19 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(O)[C@@H](NC(=O)OCC3c1ccccc1c2c3cccc2)CCNC(=O)OC\C=C
2.InChI: InChI=1/C23H24N2O6/c1-2-13-30-22(28)24-12-11-20(21(26)27)25-23(29)31-14-19-17-9-5-3-7-15(17)16-8-4-6-10-18(16)19/h2-10,19-20H,1,11-14H2,(H,24,28)(H,25,29)(H,26,27)/t20-/m0/s1
3.InChIKey: YIVBOSPUFNDYMF-FQEVSTJZBU