9,21-Dehydroryanodine

Base Information

• Chemical Name: 9,21-Dehydroryanodine
• CAS No.: 94513-55-0
• Molecular Formula: C25H33 N O9
• Molecular Weight: 491.538
• DSSTox Substance ID: DTXSID50915473
• Nikkaji Number: J548.580K
• Wikidata: Q82886479
• Metabolomics Workbench ID: 127757
• ChEMBL ID: CHEMBL2273036
• Mol file: 94513-55-0.mol

Synonyms:9,21-didehydroryanodine;DH-ryanodine

Chemical Property of 9,21-Dehydroryanodine

Chemical Property:

• Vapor Pressure: 5.11E-22mmHg at 25°C
• Boiling Point: 724.3°Cat760mmHg
• Flash Point: 391.8°C
• PSA: 172.70000
• Density: 1.57g/cm³
• LogP: -0.26750
• XLogP3: -1.1
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 4
• Exact Mass: 491.21553163
• Heavy Atom Count: 35
• Complexity: 1050

Purity/Quality:

98%Min ^*data from raw suppliers

9,21-DEHYDRORYANODINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C1(C(C2(C3(CC4(C1(C2(C5(C3(CCC(=C)C5O)O)O4)O)C)O)C)O)OC(=O)C6=CC=CN6)O
• Isomeric SMILES: CC(C)[C@]1([C@H]([C@]2([C@]3(C[C@]4([C@@]1([C@@]2([C@@]5([C@@]3(CCC(=C)[C@H]5O)O)O4)O)C)O)C)O)OC(=O)C6=CC=CN6)O