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CAS No.: | 133464-27-4 |
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Name: | BOC-D-GLU(OCHEX)-OH |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C16H27NO6 |
Molecular Weight: | 329.393 |
Synonyms: | N-A-T-BUTOXYCARBONYL-D-GLUTAMIC ACID GAMMA-CYCOHEXYL ESTER;BOC-D-GLU(OCHEX)-OH;BOC-D-GLU(OCHX)-OH;BOC-D-GLUTAMIC ACID GAMMA-CYCLOHEXYL ESTER;BOC-D-GLUTAMIC ACID(OCHEX)-OH;BOC-D-GLUTAMIC ACID Y-CYCLOHEXYLESTER;(R)-2-((tert-Butoxycarbonyl)amino)-5-(cyclohexyloxy)-5-oxopentanoic acid |
Density: | 1.16 g/cm3 |
Boiling Point: | 502.6 °C at 760 mmHg |
Flash Point: | 257.8 °C |
PSA: | 101.93000 |
LogP: | 3.01130 |
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The D-Glutamic acid,N-[(1,1-dimethylethoxy)carbonyl]-, 5-cyclohexyl ester, with CAS registry number 133464-27-4, has the systematic name of (2R)-2-[(tert-butoxycarbonyl)amino]-5-(cyclohexyloxy)-5-oxopentanoic acid (non-preferred name). This chemical should be stored at room temperature. And the chemical formula of this chemical is C16H27NO6.
Physical properties of D-Glutamic acid,N-[(1,1-dimethylethoxy)carbonyl]-, 5-cyclohexyl ester: (1)ACD/LogP: 3.65; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.5; (4)ACD/LogD (pH 7.4): 0.07; (5)ACD/BCF (pH 5.5): 2.48; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 16.34; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 7; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 82.14 Å2; (13)Index of Refraction: 1.497; (14)Molar Refractivity: 83.06 cm3; (15)Molar Volume: 283.4 cm3; (16)Polarizability: 32.93×10-24cm3; (17)Surface Tension: 45.2 dyne/cm; (18)Density: 1.16 g/cm3; (19)Flash Point: 257.8 °C; (20)Enthalpy of Vaporization: 84.48 kJ/mol; (21)Boiling Point: 502.6 °C at 760 mmHg; (22)Vapour Pressure: 1.82E-11 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC1CCCCC1)CC[C@H](C(=O)O)NC(=O)OC(C)(C)C
(2)InChI: InChI=1/C16H27NO6/c1-16(2,3)23-15(21)17-12(14(19)20)9-10-13(18)22-11-7-5-4-6-8-11/h11-12H,4-10H2,1-3H3,(H,17,21)(H,19,20)/t12-/m1/s1
(3)InChIKey: FDNMLANBNJDIRG-GFCCVEGCBW
(4)Std. InChI: InChI=1S/C16H27NO6/c1-16(2,3)23-15(21)17-12(14(19)20)9-10-13(18)22-11-7-5-4-6-8-11/h11-12H,4-10H2,1-3H3,(H,17,21)(H,19,20)/t12-/m1/s1
(5)Std. InChIKey: FDNMLANBNJDIRG-GFCCVEGCSA-N