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| CAS No.: | 3790-52-1 |
|---|---|
| Name: | H-ASP(GLY-OH)-OH |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C6H10N2O5 |
| Molecular Weight: | 190.156 |
| Synonyms: | Asparagine,N-(carboxymethyl)- (6CI,7CI);Asparagine, N-(carboxymethyl)-, L- (8CI);Glycine, N-L-b-aspartyl-;L-b-Aspartylglycine;NSC 186908;b-Aspartylglycine;b-L-Aspartylglycine; |
| Density: | 1.499 g/cm3 |
| Melting Point: | 160-168oC |
| Boiling Point: | 580.2 °C at 760 mmHg |
| Flash Point: | 304.7 °C |
| PSA: | 129.72000 |
| LogP: | -0.91960 |
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Specification
The Glycine, L-b-aspartyl-, with CAS registry number 3790-52-1, belongs to the following product categories: (1)Dipeptides; (2)Dipeptides and Tripeptides; (3)Peptides; (4)Antibiotics. It has the systematic name of L-β-aspartylglycine. This chemical should be stored at the temperature of −20°C. And it is found in cecum of germ-free & antibiotic-treated mice. The chemical formula of this chemical is C6H10N2O5.
Physical properties of Glycine, L-b-aspartyl-: (1)ACD/LogP: -1.68; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -5.16; (4)ACD/LogD (pH 7.4): -5.26; (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: 5; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 76.15 Å2; (13)Index of Refraction: 1.544; (14)Molar Refractivity: 40.09 cm3; (15)Molar Volume: 126.8 cm3; (16)Polarizability: 15.89×10-24cm3; (17)Surface Tension: 75.5 dyne/cm; (18)Density: 1.499 g/cm3; (19)Flash Point: 304.7 °C; (20)Enthalpy of Vaporization: 94.83 kJ/mol; (21)Boiling Point: 580.2 °C at 760 mmHg; (22)Vapour Pressure: 5.7E-15 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(NCC(=O)O)C[C@@H](C(=O)O)N
(2)InChI: InChI=1/C6H10N2O5/c7-3(6(12)13)1-4(9)8-2-5(10)11/h3H,1-2,7H2,(H,8,9)(H,10,11)(H,12,13)/t3-/m0/s1
(3)InChIKey: ZTEDWFWBGPKUOD-VKHMYHEABG
(4)Std. InChI: InChI=1S/C6H10N2O5/c7-3(6(12)13)1-4(9)8-2-5(10)11/h3H,1-2,7H2,(H,8,9)(H,10,11)(H,12,13)/t3-/m0/s1
(5)Std. InChIKey: ZTEDWFWBGPKUOD-VKHMYHEASA-N