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CAS No.: | 73724-43-3 |
---|---|
Name: | FMOC-CYS(STBU)-OH |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C22H25NO4S2 |
Molecular Weight: | 431.577 |
Synonyms: | Fmoc-Cys(stbu)-OH; |
EINECS: | 277-574-6 |
Density: | 1.281 g/cm3 |
Melting Point: | 73-77 °C |
Boiling Point: | 623 °C at 760 mmHg |
Flash Point: | 330.6 °C |
Appearance: | White powder |
Safety: | 22-24/25 |
PSA: | 126.23000 |
LogP: | 5.54910 |
The L-Alanine,3-[(1,1-dimethylethyl)dithio]-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-, with the CAS registry number 73724-43-3, is also known as N-Fmoc-3-[(tert-butyl)dithio]-L-alanine. It belongs to the product categories of Amino Acids; Amino Acid. Its EINECS registry number is 277-574-6. This chemical's molecular formula is C22H25NO4S2 and molecular weight is 431.57. What's more, both its IUPAC name and systematic name are the same which is called (2R)-3-(tert-Butyldisulfanyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid.
Physical properties about L-Alanine,3-[(1,1-dimethylethyl)dithio]-N-[(9H-fluoren-9-ylmethoxy)carbonyl]- are: (1) ACD/LogP: 6.95; (2) # of Rule of 5 Violations: ; (3) ACD/LogD (pH 5.5): 4.47; (4) ACD/LogD (pH 7.4): 3.29; (5) ACD/BCF (pH 5.5): 377.81; (6) ACD/BCF (pH 7.4): 24.51; (7)ACD/KOC (pH 5.5): 482.36 ; (8) ACD/KOC (pH 7.4): 31.3 ; (9)#H bond acceptors: 5 ; (10)#H bond donors: 2 ; (11)#Freely Rotating Bonds: 9 ; (12) Polar Surface Area: 106.44 Å2; (13) Index of Refraction: 1.62; (14) Molar Refractivity: 118.4 cm3; (15) Molar Volume: 336.7 cm3; (16) Surface Tension: 55.1 dyne/cm; (17) Density: 1.281 g/cm3; (18) Flash Point: 330.6 °C; (19) Enthalpy of Vaporization: 97 kJ/mol; (20) Boiling Point: 623 °C at 760 mmHg; (21) Vapour Pressure: 2.21E-16 mmHg at 25°C; (22) Melting Point: 73-77 °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)CSSC(C)(C)C
(2) InChI: InChI=1/C22H25NO4S2/c1-22(2,3)29-28-13-19(20(24)25)23-21(26)27-12-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h4-11,18-19H,12-13H2,1-3H3,(H,23,26)(H,24,25)/t19-/m0/s1
(3) InChIKey: ZDUMTHLUTJOUML-IBGZPJMEBG