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CAS No.: | 208259-66-9 |
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Name: | FMOC-(R)-2-THIENYLGLYCINE |
Molecular Structure: | |
Formula: | C21H17NO4S |
Molecular Weight: | 379.436 |
Synonyms: | Fmoc-(S)-2-(2-Thienyl)-glycine;Fmoc-(R)-2-thienylglycine; |
Density: | 1.37 g/cm3 |
Boiling Point: | 617.9 °C at 760 mmHg |
Flash Point: | 327.5 °C |
Appearance: | off-white powder |
PSA: | 103.87000 |
LogP: | 4.80340 |
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This chemical is called Fmoc-(R)-2-Thienylglycine, and its systematic name is (2R)-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}(thiophen-2-yl)ethanoic acid. With the molecular formula of C21H17NO4S, its molecular weight is 379.43. The CAS registry number of this chemical is 208259-66-9. Additionally, its product categories are Unusual Amino Acids; Amino Acid Derivatives.
Other characteristics of the Fmoc-(R)-2-Thienylglycine can be summarised as followings: (1)ACD/LogP: 4.87; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.33; (4)ACD/LogD (pH 7.4): 1.19; (5)ACD/BCF (pH 5.5): 8.52; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 30.65; (8)ACD/KOC (pH 7.4): 2.24; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 103.87 Å2; (13)Index of Refraction: 1.66; (14)Molar Refractivity: 102.19 cm3; (15)Molar Volume: 276.7 cm3; (16)Polarizability: 40.51×10-24cm3; (17)Surface Tension: 62.7 dyne/cm; (18)Density: 1.37 g/cm3; (19)Flash Point: 327.5 °C; (20)Enthalpy of Vaporization: 96.32 kJ/mol; (21)Boiling Point: 617.9 °C at 760 mmHg; (22)Vapour Pressure: 3.98E-16 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(N[C@@H](c1cccs1)C(O)=O)OCC4c2ccccc2c3ccccc34
2.InChI: InChI=1/C21H17NO4S/c23-20(24)19(18-10-5-11-27-18)22-21(25)26-12-17-15-8-3-1-6-13(15)14-7-2-4-9-16(14)17/h1-11,17,19H,12H2,(H,22,25)(H,23,24)/t19-/m0/s1
3.InChIKey:DOQXSEXNUPRHPV-IBGZPJMEBP