Aecenadp

Base Information

• Chemical Name: Aecenadp
• CAS No.: 95754-67-9
• Molecular Formula: C26H38 N9 O18 P3
• Molecular Weight: 857.550703
• Mol file: 95754-67-9.mol

Synonyms:AECENADP;N(6)-(N-(2-aminoethyl)carbamoyl)NADP

Chemical Property of Aecenadp

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: g/cm³
• XLogP3: -8.3
• Hydrogen Bond Donor Count: 10
• Hydrogen Bond Acceptor Count: 23
• Rotatable Bond Count: 19
• Exact Mass: 857.15476639
• Heavy Atom Count: 56
• Complexity: 1510

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=[N+](C=C1)C2C(C(C(O2)COP(=O)(OCC3C(C(C(O3)N4C=NC5=C(N=CN=C54)NCCC(=O)NCCN)OP(=O)(O)O)O)OP(=O)(O)O)(C(=O)N)O)[O-]
• Isomeric SMILES: C1=CC=[N+](C=C1)[C@H]2[C@@H]([C@]([C@H](O2)COP(=O)(OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)NCCC(=O)NCCN)OP(=O)(O)O)O)OP(=O)(O)O)(C(=O)N)O)[O-]