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CAS No.: | 34404-28-9 |
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Name: | BOC-D-GLU-OH |
Article Data: | 9 |
Molecular Structure: | |
Formula: | C10H17NO6 |
Molecular Weight: | 247.248 |
Synonyms: | Glutamicacid, N-carboxy-, N-tert-butyl ester, D- (8CI);N-Boc-D-Glutamic acid;N-(tert-butoxycarbonyl)-D-glutamic acid;D-glutamic acid, N-[(1,1-dimethylethoxy)carbonyl]-; |
Density: | 1.264 g/cm3 |
Melting Point: | 108 °C(dec.) |
Boiling Point: | 435.9 °C at 760 mmHg |
Flash Point: | 217.4 °C |
Solubility: | Soluble in water |
Safety: | 24/25 |
PSA: | 112.93000 |
LogP: | 1.22000 |
The Boc-D-glutamic acid, with the CAS registry number 34404-28-9, has the systematic name of N-(tert-butoxycarbonyl)-D-glutamic acid. It belongs to the following product categories: Boc-Amino Acids and Derivative; Amino Acids; Amino Acids (N-Protected); Biochemistry; Boc-Amino Acids. And the molecular formula of the chemical is C10H17NO6.
The characteristics of Boc-D-glutamic acid are as followings: (1)ACD/LogP: 0.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.59; (4)ACD/LogD (pH 7.4): -4.39; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 7; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 82.14 Å2; (13)Index of Refraction: 1.492; (14)Molar Refractivity: 56.8 cm3; (15)Molar Volume: 195.5 cm3; (16)Polarizability: 22.51×10-24cm3; (17)Surface Tension: 49.4 dyne/cm; (18)Density: 1.264 g/cm3; (19)Flash Point: 217.4 °C; (20)Enthalpy of Vaporization: 75.9 kJ/mol; (21)Boiling Point: 435.9 °C at 760 mmHg; (22)Vapour Pressure: 8.13E-09 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(OC(C)(C)C)N[C@@H](C(=O)O)CCC(=O)O
(2)InChI: InChI=1/C10H17NO6/c1-10(2,3)17-9(16)11-6(8(14)15)4-5-7(12)13/h6H,4-5H2,1-3H3,(H,11,16)(H,12,13)(H,14,15)/t6-/m1/s1
(3)InChIKey: AQTUACKQXJNHFQ-ZCFIWIBFBW