Rhodiocyanoside B

Base Information

• Chemical Name: Rhodiocyanoside B
• CAS No.: 168433-87-2
• Molecular Formula: C18H21 N O11
• Molecular Weight: 427.3594
• DSSTox Substance ID: DTXSID301141983
• Nikkaji Number: J674.902J
• Wikidata: Q105254412
• Mol file: 168433-87-2.mol

Synonyms:rhodiocyanoside B

Chemical Property of Rhodiocyanoside B

Chemical Property:

• Vapor Pressure: 2.58E-30mmHg at 25°C
• Boiling Point: 844.6°Cat760mmHg
• Flash Point: 464.6°C
• Density: 1.68g/cm³
• XLogP3: -1.7
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 8
• Exact Mass: 427.11146049
• Heavy Atom Count: 30
• Complexity: 650

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C(=C1O)O)O)C(=O)OCC(=CCOC2C(C(C(C(O2)CO)O)O)O)C#N
• Isomeric SMILES: C1=C(C=C(C(=C1O)O)O)C(=O)OC/C(=C/CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)/C#N