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CAS No.: | 102410-65-1 |
---|---|
Name: | Fmoc-L-phenylglycine |
Article Data: | 8 |
Molecular Structure: | |
Formula: | C23H19NO4 |
Molecular Weight: | 373.408 |
Synonyms: | Benzeneaceticacid, a-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-,(S)-;(S)-2-[[[(9H-Fluoren-9-yl)methoxy]carbonyl]amino]phenylethanoic acid;(S)-N-Fmoc-a-phenylglycine;(S)-[[[(9H-Fluoren-9-yl)methoxy]carbonyl]amino]phenylethanoic acid;Fmoc-(S)-phenylglycine;N-9-Fluorenylmethoxycarbonyl-L-phenylglycine; |
EINECS: | 1533716-785-6 |
Density: | 1.299 g/cm3 |
Melting Point: | 175-180 °C |
Boiling Point: | 606.3 °C at 760 mmHg |
Flash Point: | 320.5 °C |
Safety: | 22-24/25 |
PSA: | 75.63000 |
LogP: | 4.74190 |
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The IUPAC name of Fmoc-L-phenylglycine is (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-phenylacetic acid. With the CAS registry number 102410-65-1, it is also named as [(9H-Fluoren-9-ylmethoxycarbonylamino)]phenylacetic acid. The product's categories are Amino Acids; Phenylglycine [Phg]; Unusual Amino Acids; Amino Acids (N-Protected); Biochemistry; Fmoc-Amino Acids; Fmoc-Amino Acid Series. In addition, its molecular formula is C23H19NO4 and its molecular weight is 373.40. This chemical should be stored at 2-8 °C. Besides, when you are using this chemical, please do not breathe dust. And you should avoid contact with skin and eyes.
The other characteristics of Fmoc-L-phenylglycine can be summarized as: (1)ACD/LogP: 5.19; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 2.71; (4)ACD/LogD (pH 7.4): 1.52; (5)ACD/BCF (pH 5.5): 17.16; (6)ACD/BCF (pH 7.4): 1.12; (7)ACD/KOC (pH 5.5): 52.62; (8)ACD/KOC (pH 7.4): 3.44; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 55.84 Å2; (13)Index of Refraction: 1.642; (14)Molar Refractivity: 103.81 cm3; (15)Molar Volume: 287.2 cm3; (16)Polarizability: 41.15×10-24cm3; (17)Surface Tension: 58.8 dyne/cm; (18)Density: 1.299 g/cm3; (19)Flash Point: 320.5 °C; (20)Melting point: 175-180 °C; (21)alpha: 81 °(c=1% in DMF); (22)Enthalpy of Vaporization: 94.76 kJ/mol; (23)Boiling Point: 606.3 °C at 760 mmHg; (24)Vapour Pressure: 1.5E-15 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES: O=C(O)[C@@H](c1ccccc1)NC(=O)OCC4c2ccccc2c3c4cccc3
(2)InChI: InChI=1/C23H19NO4/c25-22(26)21(15-8-2-1-3-9-15)24-23(27)28-14-20-18-12-6-4-10-16(18)17-11-5-7-13-19(17)20/h1-13,20-21H,14H2,(H,24,27)(H,25,26)/t21-/m1/s1
(3)InChIKey: PCJHOCNJLMFYCV-OAQYLSRUBS
(4)Std. InChI: InChI=1S/C23H19NO4/c25-22(26)21(15-8-2-1-3-9-15)24-23(27)28-14-20-18-12-6-4-10-16(18)17-11-5-7-13-19(17)20/h1-13,20-21H,14H2,(H,24,27)(H,25,26)/t21-/m1/s1
(5)Std. InChIKey: PCJHOCNJLMFYCV-OAQYLSRUSA-N