D-Glutamic acid,N-[(1,1-dimethylethoxy)carbonyl]-, 5-cyclohexyl ester supplier

Name
BOC-D-GLU(OCHEX)-OH
EINECS
CAS No. 133464-27-4
Article Data2
CAS DataBase
Density 1.16 g/cm³
Solubility
Melting Point
Formula C₁₆H₂₇NO₆
Boiling Point 502.6 °C at 760 mmHg
Molecular Weight 329.393
Flash Point 257.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
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
PSA 101.93000
LogP 3.01130

D-Glutamic acid,N-[(1,1-dimethylethoxy)carbonyl]-, 5-cyclohexyl ester Specification

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

Product Name

BOC-D-GLU(OCHEX)-OH

D-Glutamic acid,N-[(1,1-dimethylethoxy)carbonyl]-, 5-cyclohexyl ester Specification

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