Nabpa

Base Information

• Chemical Name: Nabpa
• CAS No.: 96657-96-4
• Molecular Formula: C29H32 N4 O10
• Molecular Weight: 596.58518
• DSSTox Substance ID: DTXSID10914402
• Mol file: 96657-96-4.mol

Synonyms:12-O-(5-azido-2-nitrobenzoylphorbol)-13-acetate;NABPA

Chemical Property of Nabpa

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: g/cm³
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 7
• Exact Mass: 596.21184323
• Heavy Atom Count: 43
• Complexity: 1380

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1C(C2(C(C2(C)C)C3C1(C4C=C(C(=O)C4(CC(=C3)CO)O)C)O)OC(=O)C)OC(=O)C5=C(C=CC(=C5)N=[N+]=[N-])[N+](=O)[O-]
• Isomeric SMILES: C[C@@H]1[C@H](C2(C(C2(C)C)C3[C@]1([C@@H]4C=C(C(=O)[C@]4(CC(=C3)CO)O)C)O)OC(=O)C)OC(=O)C5=C(C=CC(=C5)N=[N+]=[N-])[N+](=O)[O-]