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| CAS No.: | 911050-87-8 |
|---|---|
| Name: | (S)-Methyl 4-(benzyloxycarbonylamino)-5-(tert-butyldimethylsilyloxy)pentanoate |
| Article Data: | 1 |
| Molecular Structure: | |
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| Formula: | C20H33NO5Si |
| Molecular Weight: | 395.57 |
| Synonyms: | (S)-METHYL 4-(BENZYLOXYCARBONYLAMINO)-5-(TERT-BUTYLDIMETHYLSILYLOXY)PENTANOATE;(S)-METHYL 4-(CBZ-AMINO)-5-TBDMS-PENTANOATE |
| Density: | 1.044 g/cm3 |
| Boiling Point: | 468 °C at 760 mmHg |
| Flash Point: | 236.8 °C |
| PSA: | 73.86000 |
| LogP: | 4.64730 |
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- Total:3 Page 1 of 1 1
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Specification
The cas register number of (S)-Methyl 4-(benzyloxycarbonylamino)-5-(tert-butyldimethylsilyloxy)pentanoate is 911050-87-8. It also can be called as Methyl 4-{[(benzyloxy)carbonyl]amino}-5-{[tert-butyl(dimethyl)silyl]oxy}pentanoate and the Systematic name about this chemical is pentanoic acid, 5-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-4-[[(phenylmethoxy)carbonyl]amino]-, methyl ester.
Physical properties about (S)-Methyl 4-(benzyloxycarbonylamino)-5-(tert-butyldimethylsilyloxy)pentanoate are: (1)ACD/LogP: 5.27; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.27; (4)ACD/LogD (pH 7.4): 5.27; (5)ACD/BCF (pH 5.5): 5974.09; (6)ACD/BCF (pH 7.4): 5973.65; (7)ACD/KOC (pH 5.5): 17564.96; (8)ACD/KOC (pH 7.4): 17563.64; (9)#H bond acceptors: 6; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 12; (12)Polar Surface Area: 73.86Å2; (13)Index of Refraction: 1.487; (14)Molar Refractivity: 108.92 cm3; (15)Molar Volume: 378.6 cm3; (16)Surface Tension: 33.3 dyne/cm; (17)Density: 1.044 g/cm3; (18)Flash Point: 236.8 °C; (19)Enthalpy of Vaporization: 73.01 kJ/mol; (20)Boiling Point: 468 °C at 760 mmHg; (21)Vapour Pressure: 6.21E-09 mmHg at 25°C.
People can use the following data to convert to the molecule structure.
1.SMILES: CC(C)(C)[Si](C)(C)OCC(CCC(=O)OC)NC(=O)OCc1ccccc1
2.InChI: InChI=1/C20H33NO5Si/c1-20(2,3)27(5,6)26-15-17(12-13-18(22)24-4)21-19(23)25-14-16-10-8-7-9-11-16/h7-11,17H,12-15H2,1-6H3,(H,21,23)
3.InChIKey: SPJDXZZZSPIWKA-UHFFFAOYAT
4.Std. InChI: InChI=1S/C20H33NO5Si/c1-20(2,3)27(5,6)26-15-17(12-13-18(22)24-4)21-19(23)25-14-16-10-8-7-9-11-16/h7-11,17H,12-15H2,1-6H3,(H,21,23)