N-4-Azido-2-nitrophenyl aminobutyryl nadp

Base Information

• Chemical Name: N-4-Azido-2-nitrophenyl aminobutyryl nadp
• CAS No.: 105450-72-4
• Molecular Formula: C31H37 N12 O20 P3
• Molecular Weight: 990.615163
• DSSTox Substance ID: DTXSID70147138
• Wikidata: Q83012227
• Mol file: 105450-72-4.mol

Synonyms:N-4-azido-2-nitrophenyl aminobutyryl NADP;NAP4-NADP

Chemical Property of N-4-Azido-2-nitrophenyl aminobutyryl nadp

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 512.21000
• Density: g/cm³
• LogP: 2.22056
• XLogP3: -2.8
• Hydrogen Bond Donor Count: 9
• Hydrogen Bond Acceptor Count: 26
• Rotatable Bond Count: 20
• Exact Mass: 990.14599261
• Heavy Atom Count: 66
• Complexity: 1920

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C[N+](=C1)C2C(C(C(O2)COP(=O)(O)OC3C(C(OC3N4C=NC5=C(N=CN=C54)NC(=O)CCCNC6=C(C=C(C=C6)N=[N+]=[N-])[N+](=O)[O-])COP(=O)(O)OP(=O)(O)O)O)O)[O-])C(=O)N
• Isomeric SMILES: C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O[C@@H]3[C@@H]([C@H](O[C@H]3N4C=NC5=C(N=CN=C54)NC(=O)CCCNC6=C(C=C(C=C6)N=[N+]=[N-])[N+](=O)[O-])COP(=O)(O)OP(=O)(O)O)O)O)[O-])C(=O)N