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CAS No.: | 13139-52-1 |
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Name: | Z-D-Gln-OH |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C13H16N2O5 |
Molecular Weight: | 280.28 |
Synonyms: | Glutamine,N2-carboxy-, N-benzyl ester, D- (8CI);Carbobenzoxy-D-glutamine;N-Benzyloxycarbonyl-D-glutamine;Z-D-Gln-OH; |
Density: | 1.316 g/cm3 |
Melting Point: | 138-142°C |
Boiling Point: | 604.2 °C at 760 mmHg |
Flash Point: | 319.2 °C |
Safety: | 24/25 |
PSA: | 118.72000 |
LogP: | 1.72270 |
The D-Glutamine,N2-[(phenylmethoxy)carbonyl]-, with CAS registry number 13139-52-1, has the systematic name of N~2~-[(benzyloxy)carbonyl]-D-glutamine. Besides this, it is also called Z-D-Gln-oh. This chemical should be stored at room temperature. And the chemical formula of this chemical is C13H16N2O5.
Physical properties of D-Glutamine,N2-[(phenylmethoxy)carbonyl]-: (1)ACD/LogP: 0.72; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.43; (4)ACD/LogD (pH 7.4): -2.86; (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: 4; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 76.15 Å2; (13)Index of Refraction: 1.565; (14)Molar Refractivity: 69.42 cm3; (15)Molar Volume: 212.8 cm3; (16)Polarizability: 27.52×10-24cm3; (17)Surface Tension: 58.5 dyne/cm; (18)Density: 1.316 g/cm3; (19)Flash Point: 319.2 °C; (20)Enthalpy of Vaporization: 94.48 kJ/mol; (21)Boiling Point: 604.2 °C at 760 mmHg; (22)Vapour Pressure: 1.9E-15 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@H](NC(=O)OCc1ccccc1)CCC(=O)N
(2)InChI: InChI=1/C13H16N2O5/c14-11(16)7-6-10(12(17)18)15-13(19)20-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H2,14,16)(H,15,19)(H,17,18)/t10-/m1/s1
(3)InChIKey: JIMLDJNLXLMGLX-SNVBAGLBBB
(4)Std. InChI: InChI=1S/C13H16N2O5/c14-11(16)7-6-10(12(17)18)15-13(19)20-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H2,14,16)(H,15,19)(H,17,18)/t10-/m1/s1
(5)Std. InChIKey: JIMLDJNLXLMGLX-SNVBAGLBSA-N