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21778-69-8

Basic Information
CAS No.: 21778-69-8
Name: L-Tyrosylglycylglycine
Article Data: 6
Cas Database
Molecular Structure:
Molecular Structure of 21778-69-8 (L-Tyrosylglycylglycine)
Formula: C13H17N3O5
Molecular Weight: 295.295
Synonyms: Glycine,N-(N-L-tyrosylglycyl)- (6CI,8CI);19: PN: EP1498113 PAGE: 14 claimed protein;Enkephalin(1-3);Human b-endorphin(1-3);L-Tyrosylglycylglycine;
EINECS: N/A
Density: 1.381 g/cm3
Melting Point: 193-195℃
Boiling Point: 741.8 °C at 760 mmHg
Flash Point: 402.4 °C
Solubility: N/A
Appearance: White crystalline powder
Hazard Symbols: N/A
Risk Codes: N/A
Safety:
Transport Information: N/A
PSA: 141.75000
LogP: 0.06110
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Specification

The L-Tyrosylglycylglycine, with CAS registry number 21778-69-8, has the systematic name of L-tyrosylglycylglycine. Besides this, it is also called H-Tyr-gly-gly-oh. This chemical should be stored at the temperature of −20°C. And the chemical formula of this chemical is C13H17N3O5.

Physical properties of L-Tyrosylglycylglycine: (1)ACD/LogP: -0.64; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -3.14; (4)ACD/LogD (pH 7.4): -3.49; (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: 8; (10)#H bond donors: 6; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 79.39 Å2; (13)Index of Refraction: 1.6; (14)Molar Refractivity: 73.15 cm3; (15)Molar Volume: 213.7 cm3; (16)Polarizability: 29×10-24cm3; (17)Surface Tension: 67.2 dyne/cm; (18)Density: 1.381 g/cm3; (19)Flash Point: 402.4 °C; (20)Enthalpy of Vaporization: 113.53 kJ/mol; (21)Boiling Point: 741.8 °C at 760 mmHg; (22)Vapour Pressure: 4.18E-23 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1
(2)InChI: InChI=1/C13H17N3O5/c14-10(5-8-1-3-9(17)4-2-8)13(21)16-6-11(18)15-7-12(19)20/h1-4,10,17H,5-7,14H2,(H,15,18)(H,16,21)(H,19,20)/t10-/m0/s1
(3)InChIKey: HIINQLBHPIQYHN-JTQLQIEIBH
(4)Std. InChI: InChI=1S/C13H17N3O5/c14-10(5-8-1-3-9(17)4-2-8)13(21)16-6-11(18)15-7-12(19)20/h1-4,10,17H,5-7,14H2,(H,15,18)(H,16,21)(H,19,20)/t10-/m0/s1
(5)Std. InChIKey: HIINQLBHPIQYHN-JTQLQIEISA-N