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Cas Database |
| Name |
Boc-L-Glutamic acid 5-fluorenylmethyl ester |
EINECS | 1533716-785-6 |
| CAS No. | 123417-18-5 | Density | 1.232 g/cm3 |
| PSA | 101.93000 | LogP | 4.49110 |
| Solubility | N/A | Melting Point |
130-131 °C |
| Formula | C24H27NO6 | Boiling Point | 633.5 °C at 760 mmHg |
| Molecular Weight | 425.481 | Flash Point | 336.9 °C |
| Transport Information | N/A | Appearance | White powder |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Boc-Glu(ofm)-OH;BG-gamma-Fme;Nalpha-Boc-glu-gamma-fluorenylmethyl ester; |
Article Data | 3 |
Boc-L-Glutamic acid 5-fluorenylmethyl ester Specification
The IUPAC name of Boc-Glu(OFm)-OH is (2S)-5-(9H-fluoren-9-ylmethoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid. With the CAS registry number 123417-18-5, it is also named as N-alpha-tert-Butyloxycarbonylglutamic acid gamma-fluorenylmethyl ester; 5-(9H-Fluoren-9-ylmethyl) N-((1,1-dimethylethoxy)carbonyl)-L-glutamate; BG-gamma-Fme; Nalpha-Boc-glu-gamma-fluorenylmethyl ester; L-Glutamic acid, N-((1,1-dimethylethoxy)carbonyl)-, 5-(9H-fluoren-9-ylmethyl) ester. It belongs to Glutamic acid [Glu, E].
The other characteristics of this product can be summarized as: (1)ACD/LogP: 5.26; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 3.12; (4)ACD/LogD (pH 7.4): 1.68; (5)ACD/BCF (pH 5.5): 42.05; (6)ACD/BCF (pH 7.4): 1.56; (7)ACD/KOC (pH 5.5): 124.49; (8)ACD/KOC (pH 7.4): 4.61; (9)#H bond acceptors: 7; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 10; (12)Index of Refraction: 1.57; (13)Molar Refractivity: 113.45 cm3; (14)Molar Volume: 345.2 cm3; (15)Polarizability: 44.97×10-24 cm3; (16)Surface Tension: 50.5 dyne/cm; (17)Enthalpy of Vaporization: 98.43 kJ/mol; (18)Vapour Pressure: 6.39E-17 mmHg at 25°C; (19)Rotatable Bond Count: 10; (20)Tautomer Count: 2; (21)Exact Mass: 425.183838; (22)MonoIsotopic Mass: 425.183838; (23)Topological Polar Surface Area: 102; (24)Heavy Atom Count: 31.
People can use the following data to convert to the molecule structure. SMILES: O=C(OC(C)(C)C)N[C@H](C(=O)O)CCC(=O)OCC3c1ccccc1c2c3cccc2; InChI: InChI=1/C24H27NO6/c1-24(2,3)31-23(29)25-20(22(27)28)12-13-21(26)30-14-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h4-11,19-20H,12-14H2,1-3H3,(H,25,29)(H,27,28)/t20-/m0/s1. Boc-Glu(OFm)-OH has many suppliers, such as GL Biochem (Shanghai) Ltd., Nantong EKO Fashion Co., Ltd. and Sichuan Emei Ronggao Biochemicals Co., Ltd.. The price of this product changes with the market.
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