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CAS No.: | 5874-90-8 |
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Name: | ALA-ALA-ALA |
Article Data: | 16 |
Molecular Structure: | |
Formula: | C9H17N3O4 |
Molecular Weight: | 231.252 |
Synonyms: | Alanine,N-(N-L-alanyl-L-alanyl)-, L- (8CI);Alanine, N-(N-alanylalanyl)- (7CI);L-Alanine, N-(N-L-alanyl-L-alanyl)-;125: PN: WO2006024694 SEQID: 125 claimedprotein;8: PN: WO02053172 SEQID: 9 claimed protein;8: PN: WO2008030988 SEQID:18 claimed protein;Alanylalanylalanine;L-Ala-L-ala-L-ala;L-Alanine trimer;L-Alanine-L-alanine-L-alanine;L-Alanyl-L-alanyl-L-alanine;Tri-L-alanine;Trialanine;H-Ala-Ala-Ala-OH; |
EINECS: | 227-538-0 |
Density: | 1.227 g/cm3 |
Melting Point: | 250-253℃ (Decomposition) |
Boiling Point: | 566.5 °C at 760 mmHg |
Flash Point: | 296.4 °C |
PSA: | 121.52000 |
LogP: | -0.09030 |
This chemical is called L-Alanine,L-alanyl-L-alanyl-, and its systematic name is L-Alanyl-L-alanyl-L-alanine. With the molecular formula of C9H17N3O4, its molecular weight is 231.25. The CAS registry number of this chemical is 5874-90-8. Additionally, its product category is Amino Acid Derivatives. It should be stored at the temperature of -20°C.
Other characteristics of the L-Alanine,L-alanyl-L-alanyl- can be summarised as followings: (1)ACD/LogP: -1.00; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -3.5; (4)ACD/LogD (pH 7.4): -3.66; (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: 70.16 Å2; (13)Index of Refraction: 1.505; (14)Molar Refractivity: 55.96 cm3; (15)Molar Volume: 188.4 cm3; (16)Polarizability: 22.18×10-24cm3; (17)Surface Tension: 49.3 dyne/cm; (18)Density: 1.227 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: 2.58E-14 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(N[C@H](C(=O)O)C)[C@@H](NC(=O)[C@@H](N)C)C
2.InChI: InChI=1/C9H17N3O4/c1-4(10)7(13)11-5(2)8(14)12-6(3)9(15)16/h4-6H,10H2,1-3H3,(H,11,13)(H,12,14)(H,15,16)/t4-,5-,6-/m0/s1
3.InChIKey: BYXHQQCXAJARLQ-ZLUOBGJFBQ