Phytolaccanin hydrochloride

Base Information

• Chemical Name: Phytolaccanin hydrochloride
• CAS No.: 73464-91-2
• Molecular Formula: C24H26 N2 O13 . Cl H
• Molecular Weight: 586.9298

Synonyms:Betanin hydrochloride;Betanine hydrochloride;Phytolaccanin hydrochloride;2,6-Pyridinedicarboxylic acid, 4-(2-(2-carboxy-5-(beta-D-glucopyranosyloxy)-2,3-dihydro-6-hydroxy-1H-indol-1-yl)ethenyl)-2,3-dihydro-, monohydrochloride, (S-(R*,R*))-;73464-91-2;C24H26N2O13.ClH;C24-H26-N2-O13.Cl-H

Chemical Property of Phytolaccanin hydrochloride

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 983.5°Cat760mmHg
• Flash Point: 548.6°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 9
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 8
• Exact Mass: 586.1201666
• Heavy Atom Count: 40
• Complexity: 1060

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(N=C(C=C1C=CN2C(CC3=CC(=C(C=C32)O)OC4C(C(C(C(O4)CO)O)O)O)C(=O)O)C(=O)O)C(=O)O.Cl
• Isomeric SMILES: C1[C@H](N=C(C=C1/C=C/N2[C@@H](CC3=CC(=C(C=C32)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C(=O)O)C(=O)O)C(=O)O.Cl

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