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| CAS No.: | 730-08-5 |
|---|---|
| Name: | H-TYR-ALA-OH |
| Molecular Structure: | |
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| Formula: | C12H16N2O4 |
| Molecular Weight: | 252.27 |
| Synonyms: | Alanine,N-L-tyrosyl-, L- (8CI);Alanine, N-tyrosyl- (6CI,7CI);L-Alanine, N-L-tyrosyl-;46: PN: WO2007067983 SEQID: 195 unclaimed protein;L-Tyrosyl-L-alanine;Tyrosylalanine; |
| Density: | 1.315 g/cm3 |
| Melting Point: | 230℃ (Decomposition) |
| Boiling Point: | 577.8 °C at 760 mmHg |
| Flash Point: | 303.3 °C |
| PSA: | 112.65000 |
| LogP: | 0.94250 |
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Specification
The L-Alanine, L-tyrosyl-, with the CAS registry number 730-08-5, has the systematic name of L-tyrosyl-L-alanine. It belongs to the following product categories: Amino Acid Derivatives; Dipeptides; Dipeptides and Tripeptides; Peptides. And the molecular formula of the chemical is C12H16N2O4. What's more, it should be stored at -20°C.
The characteristics of L-Alanine, L-tyrosyl- are as followings: (1)ACD/LogP: -0.10; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -2.6; (4)ACD/LogD (pH 7.4): -2.76; (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: 6; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 59.08 Å2; (13)Index of Refraction: 1.591; (14)Molar Refractivity: 64.85 cm3; (15)Molar Volume: 191.6 cm3; (16)Polarizability: 25.71×10-24cm3; (17)Surface Tension: 61.4 dyne/cm; (18)Density: 1.315 g/cm3; (19)Flash Point: 303.3 °C; (20)Enthalpy of Vaporization: 90.98 kJ/mol; (21)Boiling Point: 577.8 °C at 760 mmHg; (22)Vapour Pressure: 3.42E-14 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C
(2)InChI: InChI=1/C12H16N2O4/c1-7(12(17)18)14-11(16)10(13)6-8-2-4-9(15)5-3-8/h2-5,7,10,15H,6,13H2,1H3,(H,14,16)(H,17,18)/t7-,10-/m0/s1
(3)InChIKey: NLKUJNGEGZDXGO-XVKPBYJWBW