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CAS No.: | 204316-36-9 |
---|---|
Name: | FMOC-DAP(Z)-OH |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C26H24N2O6 |
Molecular Weight: | 460.48 |
Synonyms: | Fmoc-Dap(Z)-OH;N-alpha-Fmoc-N-beta-Z-L-diaminopropionic acid; |
EINECS: | 1533716-785-6 |
Density: | 1.32 g/cm3 |
Melting Point: | 119 °C |
Boiling Point: | 722.985 °C at 760 mmHg |
Flash Point: | 391.048 °C |
Safety: | 22-24/25 |
PSA: | 113.96000 |
LogP: | 4.68650 |
The L-Alanine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-3-[[(phenylmethoxy)carbonyl]amino]-, with the CAS registry number 204316-36-9, is also known as Fmoc-Dap(Z)-OH. It belongs to the product categories of Unusual Amino Acids; Amino Acid Derivatives. This chemical's molecular formula is C26H24N2O6 and molecular weight is 460.48. What's more, its systematic name is called 3-{[(Benzyloxy)carbonyl]amino}-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-alanine.
Physical properties about L-Alanine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-3-[[(phenylmethoxy)carbonyl]amino]- are: (1) ACD/LogP: 5.68; (2) # of Rule of 5 Violations: 1; (3) ACD/LogD (pH 5.5): 3.23; (4) ACD/LogD (pH 7.4): 2.02; (5) ACD/BCF (pH 5.5): 43; (6) ACD/BCF (pH 7.4): 2.68; (7) ACD/KOC (pH 5.5): 103.21; (8) ACD/KOC (pH 7.4): 6.44; (9) #H bond acceptors: 8; (10) #H bond donors: 3; (11) #Freely Rotating Bonds: 10; (12) Polar Surface Area: 85.38 Å2; (13) Index of Refraction: 1.623; (14) Molar Refractivity: 123.03 cm3; (15) Molar Volume: 348.7 cm3; (16) Surface Tension: 58.9 dyne/cm; (17) Density: 1.32 g/cm3; (18) Flash Point: 391 °C; (19) Enthalpy of Vaporization: 110.85 kJ/mol; (20 )Boiling Point: 723 °C at 760 mmHg; (21) Vapour Pressure: 6.13E-22 mmHg at 25 °C.
When you are dealing with this chemical, you should be very careful. The gas of this chemical can not be breathed. Therefor, you should avoid contacting with skin and eyes.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)[C@@H](NC(=O)OCC3c1ccccc1c2c3cccc2)CNC(=O)OCc4ccccc4
(2) InChI: InChI=1/C26H24N2O6/c29-24(30)23(14-27-25(31)33-15-17-8-2-1-3-9-17)28-26(32)34-16-22-20-12-6-4-10-18(20)19-11-5-7-13-21(19)22/h1-13,22-23H,14-16H2,(H,27,31)(H,28,32)(H,29,30)/t23-/m0/s1
(3) InChIKey: CDAHZCMBWKGJEC-QHCPKHFHBY