L-Alanine, L-α-aspartyl- supplier

Name
H-ASP-ALA-OH
EINECS
CAS No. 13433-02-8
Article Data3
CAS DataBase
Density 1.42 g/cm³
Solubility
Melting Point
Formula C₇H₁₂N₂O₅
Boiling Point 545.3 °C at 760 mmHg
Molecular Weight 204.183
Flash Point 283.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms L-Alanine,N-L-a-aspartyl-;Succinamic acid,3-amino-N-(1-carboxyethyl)-, stereoisomer (8CI);442: PN: WO2005081628 SEQID:444 claimed protein;Aspartylalanine;L-Aspartyl-L-alanine;a-L-Aspartyl-L-alanine;
PSA 129.72000
LogP -0.53110

L-Alanine, L-α-aspartyl- Specification

The L-Alanine, L-α-aspartyl-, with the CAS registry number 13433-02-8, is also known as Alanine, α-aspartyl-. It belongs to the product categories of Dipeptides; Dipeptides and Tripeptides; Peptides. This chemical's molecular formula is C₇H₁₂N₂O₅ and molecular weight is 204.18. What's more, its systematic name is α-Aspartylalanine. Its storage temperature is -20°C.

Physical properties of L-Alanine, L-α-aspartyl- are: (1)ACD/LogP: -1.03; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -4.48; (4)ACD/LogD (pH 7.4): -4.79; (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: 1.534; (14)Molar Refractivity: 44.68 cm³; (15)Molar Volume: 143.7 cm³; (16)Polarizability: 17.71×10^-24 cm³; (17)Surface Tension: 66.9 dyne/cm; (18)Density: 1.42 g/cm³; (19)Flash Point: 283.6 °C; (20)Enthalpy of Vaporization: 90.12 kJ/mol; (21)Boiling Point: 545.3 °C at 760 mmHg; (22)Vapour Pressure: 2.47E-13 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C(=O)O)NC(=O)C(CC(=O)O)N
(2)Isomeric SMILES: C[C@@H](C(=O)O)NC(=O)[C@H](CC(=O)O)N
(3)InChI: InChI=1S/C7H12N2O5/c1-3(7(13)14)9-6(12)4(8)2-5(10)11/h3-4H,2,8H2,1H3,(H,9,12)(H,10,11)(H,13,14)/t3-,4-/m0/s1
(4)InChIKey: DVUFTQLHHHJEMK-IMJSIDKUSA-N

Product Name

H-ASP-ALA-OH

L-Alanine, L-α-aspartyl- Specification

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