L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(4-((2,3,4-trimethoxybenzoyl)-1-piperazinyl)-, 5-nitrate, hydrochloride

Base Information

• Chemical Name: L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(4-((2,3,4-trimethoxybenzoyl)-1-piperazinyl)-, 5-nitrate, hydrochloride
• CAS No.: 134213-46-0
• Molecular Formula: C20H28ClN3O9
• Molecular Weight: 489.904
• DSSTox Substance ID: DTXSID90928522
• Mol file: 134213-46-0.mol

Synonyms:134213-46-0;L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(4-((2,3,4-trimethoxybenzoyl)-1-piperazinyl)-, 5-nitrate, hydrochloride;C20H27N3O9.xClH;DTXSID90928522;C20-H27-N3-O9.x-Cl-H;1,4:3,6-Dianhydro-2-deoxy-5-O-nitro-2-[4-(2,3,4-trimethoxybenzoyl)piperazin-1-yl]hexitol--hydrogen chloride (1/1)

Chemical Property of L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(4-((2,3,4-trimethoxybenzoyl)-1-piperazinyl)-, 5-nitrate, hydrochloride

Chemical Property:

• Vapor Pressure: 1.15E-15mmHg at 25°C
• Boiling Point: 627.6°Cat760mmHg
• Flash Point: 333.4°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 6
• Exact Mass: 489.1514072
• Heavy Atom Count: 33
• Complexity: 669

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C(=C(C=C1)C(=O)N2CCN(CC2)C3COC4C3OCC4O[N+](=O)[O-])OC)OC.Cl
• Isomeric SMILES: COC1=C(C(=C(C=C1)C(=O)N2CCN(CC2)[C@H]3CO[C@H]4[C@@H]3OC[C@@H]4O[N+](=O)[O-])OC)OC.Cl