Basic Information | Post buying leads | Suppliers |
Name |
(S)-5-tert-butyl 1-(4-nitrophenyl) 2-(tert-butoxycarbonylamino)pentanedioate |
EINECS | N/A |
CAS No. | 69876-58-0 | Density | 1.201 g/cm3 |
PSA | 136.75000 | LogP | 4.42950 |
Solubility | N/A | Melting Point |
N/A |
Formula | C20H28N2O8 | Boiling Point | 555 °C at 760 mmHg |
Molecular Weight | 424.44 | Flash Point | 289.4 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
(S)-5-tert-butyl 1-(4-nitrophenyl) 2-(tert-butoxycarbonylamino)pentanedioate;5-tert-butyl 1-(4-nitrophenyl) N-(tert-butoxycarbonyl)-D-glutamate; |
The CAS register number of(S)-5-tert-butyl 1-(4-nitrophenyl) 2-(tert-butoxycarbonylamino)pentanedioate is 69876-58-0. It also can be called as L-Glutamic acid,N-[(1,1-dimethylethoxy)carbonyl]-, 5-(1,1-dimethylethyl) 1-(4-nitrophenyl)ester and the systematic name about this chemical is 5-tert-butyl 1-(4-nitrophenyl) N-(tert-butoxycarbonyl)-D-glutamate. The molecular formula about this chemical is C20H28N2O8 and the molecular weight is 424.44. It belongs to the following product categories which include Amino Acids; Glutamic acid [Glu, E]; Boc-Amino Acids and Derivative and so on.
Physical properties about (S)-5-tert-butyl 1-(4-nitrophenyl) 2-(tert-butoxycarbonylamino)pentanedioate are: (1)ACD/LogP: 4.59; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 10; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 12; (6)Polar Surface Area: 127.96Å2; (7)Index of Refraction: 1.516; (8)Molar Refractivity: 106.76 cm3; (9)Molar Volume: 353.2 cm3; (10)Polarizability: 42.32x10-24cm3; (11)Surface Tension: 43.4 dyne/cm; (12)Flash Point: 289.4 °C; (13)Enthalpy of Vaporization: 83.62 kJ/mol; (14)Boiling Point: 555 °C at 760 mmHg; (15)Vapour Pressure: 2.34E-12 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Oc1ccc(cc1)[N+]([O-])=O)[C@H](NC(=O)OC(C)(C)C)CCC(=O)OC(C)(C)C
(2)InChI: InChI=1/C20H28N2O8/c1-19(2,3)29-16(23)12-11-15(21-18(25)30-20(4,5)6)17(24)28-14-9-7-13(8-10-14)22(26)27/h7-10,15H,11-12H2,1-6H3,(H,21,25)/t15-/m1/s1
(3)InChIKey: XGSZKZYRDFXIHX-OAHLLOKOBG
(4)Std. InChI: InChI=1S/C20H28N2O8/c1-19(2,3)29-16(23)12-11-15(21-18(25)30-20(4,5)6)17(24)28-14-9-7-13(8-10-14)22(26)27/h7-10,15H,11-12H2,1-6H3,(H,21,25)/t15-/m1/s1
(5)Std. InChIKey: XGSZKZYRDFXIHX-OAHLLOKOSA-N