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N-Acetyl-L-alanyl-L-glutamine

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Name

N-Acetyl-L-alanyl-L-glutamine

EINECS N/A
CAS No. 121574-43-4 Density 1.285 g/cm3
PSA 138.59000 LogP -0.17200
Solubility N/A Melting Point N/A
Formula C10H17N3O5 Boiling Point 737.4 °C at 760 mmHg
Molecular Weight 259.26 Flash Point 399.8 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 121574-43-4 (AC-ALA-GLN-OH) Hazard Symbols N/A
Synonyms

L-Glutamine,N2-(N-acetyl-L-alanyl)-;

 

N-Acetyl-L-alanyl-L-glutamine Specification

The N-Acetyl-L-alanyl-L-glutamine, with CAS registry number 121574-43-4, belongs to the following product category: Amino Acid Derivatives. It has the systematic name of N-acetylalanylglutamine. Besides this, it is also called glutamine, N-acetylalanyl-. And the chemical formula of this chemical is C10H17N3O5.

Physical properties of N-Acetyl-L-alanyl-L-glutamine: (1)# of Rule of 5 Violations: 1; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 8; (7)#H bond donors: 5; (8)#Freely Rotating Bonds: 7; (9)Polar Surface Area: 138.59 Å2; (10)Index of Refraction: 1.513; (11)Molar Refractivity: 60.67 cm3; (12)Molar Volume: 201.6 cm3; (13)Polarizability: 24.05×10-24cm3; (14)Surface Tension: 54 dyne/cm; (15)Enthalpy of Vaporization: 117.1 kJ/mol; (16)Vapour Pressure: 8.59E-24 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(NC(CCC(N)=O)C(O)=O)C(C)NC(C)=O
(2)InChI: InChI=1/C10H17N3O5/c1-5(12-6(2)14)9(16)13-7(10(17)18)3-4-8(11)15/h5,7H,3-4H2,1-2H3,(H2,11,15)(H,12,14)(H,13,16)(H,17,18)
(3)InChIKey: BALLJDWBMKIZEF-UHFFFAOYAD

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