Glycine, L-α-aspartyl- supplier

Name
H-ASP-GLY-OH
EINECS
CAS No. 3790-51-0
Article Data10
CAS DataBase
Density 1.499 g/cm³
Solubility
Melting Point 164-165oC
Formula C₆H₁₀N₂O₅
Boiling Point 572 °C at 760 mmHg
Molecular Weight 190.156
Flash Point 299.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Glycine,N-L-α-aspartyl-;Succinamic acid,3-amino-N-(carboxymethyl)-, L- (8CI);Aspartylglycine;Butanoic acid,3-amino-4-[(carboxymethyl)amino]-4-oxo-, (S)-;L-Aspartylglycine;
PSA 129.72000
LogP -0.91960

Glycine, L-α-aspartyl- Specification

The Glycine, L-α-aspartyl-, with the CAS registry number 3790-51-0, is also known as Asp-Gly. This chemical's molecular formula is C₆H₁₀N₂O₅ and molecular weight is 190.15. What's more, its IUPAC name is 3-Amino-4-(carboxymethylamino)-4-oxobutanoic acid.

Physical properties of Glycine, L-α-aspartyl- are: (1)ACD/LogP: -1.38; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -4.83; (4)ACD/LogD (pH 7.4): -5.19; (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: 1.544; (14)Molar Refractivity: 40.09 cm³; (15)Molar Volume: 126.8 cm³; (16)Polarizability: 15.89×10^-24 cm³; (17)Surface Tension: 75.5 dyne/cm; (18)Density: 1.499 g/cm³; (19)Flash Point: 299.7 °C; (20)Enthalpy of Vaporization: 93.71 kJ/mol; (21)Boiling Point: 572 °C at 760 mmHg; (22)Vapour Pressure: 1.42E-14 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C(C(C(=O)NCC(=O)O)N)C(=O)O
(2)InChI: InChI=1S/C6H10N2O5/c7-3(1-4(9)10)6(13)8-2-5(11)12/h3H,1-2,7H2,(H,8,13)(H,9,10)(H,11,12)
(3)InChIKey: JHFNSBBHKSZXKB-UHFFFAOYSA-N

Product Name

H-ASP-GLY-OH

Glycine, L-α-aspartyl- Specification

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