Ryanodyl-3-pdc

Base Information

• Chemical Name: Ryanodyl-3-pdc
• CAS No.: 137441-82-8
• Molecular Formula: C26H35NO9
• Molecular Weight: 505.56
• DSSTox Substance ID: DTXSID50929797
• Wikidata: Q82904903
• Mol file: 137441-82-8.mol

Synonyms:ryanodyl 3-(pyridine-3-carboxylate);ryanodyl-3-PDC

Chemical Property of Ryanodyl-3-pdc

Chemical Property:

• Vapor Pressure: 4.21E-20mmHg at 25°C
• Boiling Point: 692°C at 760 mmHg
• Flash Point: 372.3°C
• PSA: 169.80000
• Density: 1.53g/cm³
• LogP: -0.12070
• XLogP3: -0.6
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 4
• Exact Mass: 505.23118169
• Heavy Atom Count: 36
• Complexity: 1030

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCC2(C3(CC4(C5(C(C(C3(C5(C2(C1O)O4)O)O)OC(=O)C6=CN=CC=C6)(C(C)C)O)C)O)C)O
• Isomeric SMILES: C[C@H]1CC[C@@]2([C@]3(C[C@@]4([C@]5([C@]([C@H]([C@@]3([C@]5(C2([C@@H]1O)O4)O)O)OC(=O)C6=CN=CC=C6)(C(C)C)O)C)O)C)O