4a-Hydroxy-fad

Base Information

• Chemical Name: 4a-Hydroxy-fad
• CAS No.: 96622-00-3
• Molecular Formula: C27H35 N9 O16 P2
• Molecular Weight: 803.57
• Mol file: 96622-00-3.mol

Synonyms:4a-hydroxy-FAD

Chemical Property of 4a-Hydroxy-fad

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 2.12g/cm³
• XLogP3: -5.7
• Hydrogen Bond Donor Count: 11
• Hydrogen Bond Acceptor Count: 21
• Rotatable Bond Count: 13
• Exact Mass: 803.16770006
• Heavy Atom Count: 54
• Complexity: 1550

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3(N2)O)CC(C(C(COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)N5C=NC6=C(N=CN=C65)N)O)O)O)O)O
• Isomeric SMILES: CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3(N2)O)C[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H](C(O4)N5C=NC6=C(N=CN=C65)N)O)O)O)O)O