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| CAS No.: | 691-81-6 |
|---|---|
| Name: | GLY-D-ALA |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C5H10N2O3 |
| Molecular Weight: | 146.146 |
| Synonyms: | Alanine,N-glycyl-, D- (8CI);D-Alanine, N-glycyl-;Glycyl-D-alanine;Glycyl-D-a-alanine;NSC 522445; |
| EINECS: | 223-019-8 |
| Density: | 1.263 g/cm3 |
| Boiling Point: | 417.4 °C at 760 mmHg |
| Flash Point: | 206.2 °C |
| Solubility: | Soluble in water (10 mg/mL-clear, colorless solution) |
| Appearance: | White powder |
| PSA: | 92.42000 |
| LogP: | -0.37440 |
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- Total:13 Page 1 of 1 1
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Specification
The D-Alanine, glycyl-, with the CAS registry number 691-81-6, is also known as Glycyl-D-alanine. It belongs to the product categories of Dipeptides; Dipeptides and Tripeptides; Peptides. This chemical's molecular formula is C5H10N2O3 and molecular weight is 146.14. What's more, its systematic name is (2R)-2-[(ammonioacetyl)amino]propanoate.
Physical properties of D-Alanine, glycyl- are: (1)ACD/LogP: -1.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4; (4)ACD/LogD (pH 7.4): -4.24; (5)ACD/BCF (pH 5.5): 1; (6)ACD/KOC (pH 5.5): 1; (7)#H bond acceptors: 5; (8)#H bond donors: 4; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 57.61 Å2; (11)Index of Refraction: 1.497; (12)Molar Refractivity: 33.89 cm3; (13)Molar Volume: 115.6 cm3; (14)Polarizability: 13.43×10-24cm3; (15)Surface Tension: 53.1 dyne/cm; (16)Density: 1.263 g/cm3; (17)Flash Point: 206.2 °C; (18)Enthalpy of Vaporization: 73.58 kJ/mol; (19)Boiling Point: 417.4 °C at 760 mmHg; (20)Vapour Pressure: 3.9E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: [O-]C(=O)[C@H](NC(=O)C[NH3+])C
(2)InChI: InChI=1S/C5H10N2O3/c1-3(5(9)10)7-4(8)2-6/h3H,2,6H2,1H3,(H,7,8)(H,9,10)/t3-/m1/s1
(3)InChIKey: VPZXBVLAVMBEQI-GSVOUGTGSA-N