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| CAS No.: | 21064-18-6 |
|---|---|
| Name: | H-GLU-ALA-OH |
| Molecular Structure: | |
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| Formula: | C8H14N2O5 |
| Molecular Weight: | 218.21 |
| Synonyms: | Glutaramicacid, 4-amino-N-(1-carboxyethyl)- (6CI);Glutaramic acid,4-amino-N-(1-carboxyethyl)-, stereoisomer (8CI);L-Alanine, N-L-α-glutamyl-;446: PN: WO2005081628SEQID: 1555 claimed protein;Glutamylalanine;L-Glutamyl-L-alanine;NSC 334200;a-Glutamylalanine;a-L-Glutamyl-L-alanine; |
| Density: | 1.362 g/cm3 |
| Boiling Point: | 566.5 °C at 760 mmHg |
| Flash Point: | 296.4 °C |
| PSA: | 129.72000 |
| LogP: | -0.14100 |
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Specification
This chemical is called L-Alanine, L-α-glutamyl-, and its systematic name is α-glutamylalanine. With the molecular formula of C8H14N2O5, its molecular weight is 218.21. The CAS registry number of the chemical is 21064-18-6. Additionally, its product category is Amino Acid Derivatives.
Other characteristics of L-Alanine, L-α-glutamyl- can be summarised as followings: (1)ACD/LogP: -1.27; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -4.63; (4)ACD/LogD (pH 7.4): -4.84; (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: 7; (12)Polar Surface Area: 76.15 Å2; (13)Index of Refraction: 1.527; (14)Molar Refractivity: 49.31 cm3; (15)Molar Volume: 160.2 cm3; (16)Polarizability: 19.55×10-24cm3; (17)Surface Tension: 62.7 dyne/cm; (18)Density: 1.362 g/cm3; (19)Flash Point: 296.4 °C; (20)Enthalpy of Vaporization: 92.97 kJ/mol; (21)Boiling Point: 566.5 °C at 760 mmHg; (22)Vapour Pressure: 2.59E-14 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(NC(C(=O)O)C)C(N)CCC(=O)O
2.InChI: InChI=1/C8H14N2O5/c1-4(8(14)15)10-7(13)5(9)2-3-6(11)12/h4-5H,2-3,9H2,1H3,(H,10,13)(H,11,12)(H,14,15)
3.InChIKey: JZDHUJAFXGNDSB-UHFFFAOYAD
4.Std. InChI: InChI=1S/C8H14N2O5/c1-4(8(14)15)10-7(13)5(9)2-3-6(11)12/h4-5H,2-3,9H2,1H3,(H,10,13)(H,11,12)(H,14,15)
5.Std. InChIKey: JZDHUJAFXGNDSB-UHFFFAOYSA-N