CID 11979877

Base Information

• Chemical Name: CID 11979877
• CAS No.: 84331-34-0
• Molecular Formula: C51H53ClO28
• Molecular Weight: 1149.42
• Mol file: 84331-34-0.mol

Synonyms:gentiodelphin

Chemical Property of CID 11979877

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 465.03000
• Density: g/cm³
• LogP: -4.61120
• Hydrogen Bond Donor Count: 17
• Hydrogen Bond Acceptor Count: 28
• Rotatable Bond Count: 18
• Exact Mass: 1148.2411887
• Heavy Atom Count: 80
• Complexity: 2020

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1C=CC(=O)OCC2C(C(C(C(O2)OC3=CC(=CC(=C3O)O)C4=C(C=C5C(=CC(=CC5=[O+]4)O)OC6C(C(C(C(O6)COC(=O)C=CC7=CC(=C(C=C7)O)O)O)O)O)OC8C(C(C(C(O8)CO)O)O)O)O)O)O)O)O.[Cl-]
• Isomeric SMILES: C1=CC(=C(C=C1/C=C/C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC(=CC(=C3O)O)C4=C(C=C5C(=CC(=CC5=[O+]4)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)COC(=O)/C=C/C7=CC(=C(C=C7)O)O)O)O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O)O)O)O.[Cl-]