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| CAS No.: | 112883-40-6 |
|---|---|
| Name: | Fmoc-Met-OH |
| Molecular Structure: | |
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| Formula: | C20H21NO4S |
| Molecular Weight: | 371.457 |
| Synonyms: | Fmoc-Met-OH;D-Fmoc-Methionine;N-(9-Fluorenylmethoxycarbonyl)-D-methionine; |
| EINECS: | 276-258-5 |
| Density: | 1.282 g/cm3 |
| Melting Point: | 132 °C |
| Boiling Point: | 614.6 °C at 760 mmHg |
| Flash Point: | 325.5 °C |
| Safety: | 22-24/25 |
| PSA: | 100.93000 |
| LogP: | 4.12230 |
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Specification
The IUPAC name of Fmoc-D-methionine is 2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylsulfanylbutanoic acid. With the CAS registry number 112883-40-6, it is also named as N-(9-Fluorenylmethyloxycarbonyl)-D-methionine. The product's categories are Amino Acids; Methionine [Met, M]; Fmoc-Amino Acids and Derivatives; Amino Acids (N-Protected); Biochemistry; Fmoc-Amino Acids; Fmoc-Amino Acid Series. In addition, its molecular formula is C20H21NO4S and its molecular weight is 371.45. This chemical should be stored at 2-8 °C. Moreover, 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-D-methionine can be summarized as: (1)ACD/LogP: 4.60; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.41; (4)ACD/LogD (pH 7.4): 1.01; (5)ACD/BCF (pH 5.5): 12.01; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 49.46; (8)ACD/KOC (pH 7.4): 1.95; (9)H bond acceptors: 5; (10)H bond donors: 2; (11)Freely Rotating Bonds: 8; (12)Index of Refraction: 1.615; (13)Molar Refractivity: 101.17 cm3; (14)Molar Volume: 289.7 cm3; (15)Surface Tension: 55.9 dyne/cm; (16)Density: 1.282 g/cm3; (17)Flash Point: 325.5 °C; (18)Melting Point: 132 °C; (19)refractive index: 30 °(C=1, DMF); (20)Enthalpy of Vaporization: 95.88 kJ/mol; (21)Boiling Point: 614.6 °C at 760 mmHg; (22)Vapour Pressure: 5.8E-16 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES:O=C(O)[C@H](NC(=O)OCC3c1ccccc1c2c3cccc2)CCSC
(2)InChI:InChI=1/C20H21NO4S/c1-26-11-10-18(19(22)23)21-20(24)25-12-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17/h2-9,17-18H,10-12H2,1H3,(H,21,24)(H,22,23)/t18-/m1/s1
(3)InChIKey:BUBGAUHBELNDEW-GOSISDBHBW
(4)Std. InChI:InChI=1S/C20H21NO4S/c1-26-11-10-18(19(22)23)21-20(24)25-12-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17/h2-9,17-18H,10-12H2,1H3,(H,21,24)(H,22,23)/t18-/m1/s1
(5)Std. InChIKey:BUBGAUHBELNDEW-GOSISDBHSA-N