Cyclamin

Base Information

• Chemical Name: Cyclamin
• CAS No.: 23643-76-7
• Molecular Formula: C58H94 O27
• Molecular Weight: 1223.35
• DSSTox Substance ID: DTXSID301318584
• Nikkaji Number: J40.314H
• Wikidata: Q27106281
• ChEMBL ID: CHEMBL373379
• Mol file: 23643-76-7.mol

Synonyms:cyclamin

Chemical Property of Cyclamin

Chemical Property:

• PSA: 422.05000
• Density: 1.53g/cm3
• LogP: -4.06930
• XLogP3: -2.7
• Hydrogen Bond Donor Count: 15
• Hydrogen Bond Acceptor Count: 27
• Rotatable Bond Count: 14
• Exact Mass: 1222.59824772
• Heavy Atom Count: 85
• Complexity: 2340

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(C2CCC3(C(C2(CCC1OC4C(C(C(CO4)OC5C(C(C(C(O5)CO)O)OC6C(C(C(C(O6)CO)O)O)O)OC7C(C(C(CO7)O)O)O)O)OC8C(C(C(C(O8)CO)O)O)O)C)CCC91C3(CC(C2(C9CC(CC2)(C)C=O)CO1)O)C)C)C
• Isomeric SMILES: C[C@@]1(CC[C@@]23CO[C@]4([C@@H]2C1)CC[C@@H]5[C@]6(CC[C@@H](C([C@@H]6CC[C@]5([C@@]4(C[C@H]3O)C)C)(C)C)O[C@H]7[C@@H]([C@H]([C@H](CO7)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C)C=O