Epdad

Base Information

• Chemical Name: Epdad
• CAS No.: 94516-25-3
• Molecular Formula: C22H26 N6 O13 P2
• Molecular Weight: 644.43
• Mol file: 94516-25-3.mol

Synonyms:EPDAD;pyridine 1,N(6)-ethenoadenine dinucleotide

Chemical Property of Epdad

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: g/cm³
• XLogP3: -3.7
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 16
• Rotatable Bond Count: 10
• Exact Mass: 644.10330890
• Heavy Atom Count: 43
• Complexity: 1070

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=[N+](C=C1)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C4N=CN6C5=NC=C6)O)O)O)O
• Isomeric SMILES: C1=CC=[N+](C=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)(O)OC[C@@H]3[C@H]([C@H](C(O3)N4C=NC5=C4N=CN6C5=NC=C6)O)O)O)O