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Hexaglycine

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Name

Hexaglycine

EINECS
CAS No. 3887-13-6 Density 1.415 g/cm3
Solubility Melting Point
Formula C12H20N6O7 Boiling Point 1069 °C at 760 mmHg
Molecular Weight 360.3232 Flash Point 600.3 °C
Transport Information Appearance white to off-white powder
Safety Risk Codes
Molecular Structure Molecular Structure of 3887-13-6 (Hexaglycine) Hazard Symbols
Synonyms

Glycine,N-[N-[N-[N-(N-glycylglycyl)glycyl]glycyl]glycyl]- (6CI,8CI);Glycylglycylglycylglycylglycylglycine;H-Gly-Gly-Gly-Gly-Gly-Gly-OH;NSC 402061;

 

Hexaglycine Specification

The Hexaglycine, with the CAS registry number 3887-13-6, is also known as Glycylglycylglycylglycylglycylglycine. This chemical's molecular formula is C12H20N6O7 and molecular weight is 360.32. What's more, its IUPAC name is 2-[[2-[[2-[[2-[[2-[(2-Aminoacetyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid. In addition, it must be stored at -20 °C.

Physical properties about Hexaglycine are: (1)ACD/LogP: -3.89; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): -6.39; (4)ACD/LogD (pH 7.4): -6.57; (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: 13; (10)#H bond donors: 8; (11)#Freely Rotating Bonds: 12; (12)Polar Surface Area: 131.09 Å2; (13)Index of Refraction: 1.548; (14)Molar Refractivity: 80.86 cm3; (15)Molar Volume: 254.5 cm3; (16)Polarizability: 32.05×10-24 cm3; (17)Surface Tension: 65.9 dyne/cm; (18)Density: 1.415 g/cm3; (19)Flash Point: 600.3 °C; (20)Enthalpy of Vaporization: 169.67 kJ/mol; (21)Boiling Point: 1069 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(NCC(=O)O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CN
(2) InChI: InChI=1/C12H20N6O7/c13-1-7(19)14-2-8(20)15-3-9(21)16-4-10(22)17-5-11(23)18-6-12(24)25/h1-6,13H2,(H,14,19)(H,15,20)(H,16,21)(H,17,22)(H,18,23)(H,24,25)
(3) InChIKey: XJFPXLWGZWAWRQ-UHFFFAOYAL

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