S-Naphthyridinomycin A

Base Information

• Chemical Name: S-Naphthyridinomycin A
• CAS No.: 54913-26-7
• Molecular Formula: C21H25N3O5
• Molecular Weight: 399.4403
• DSSTox Substance ID: DTXSID50970244
• Mol file: 54913-26-7.mol

Synonyms:54913-26-7;S-Naphthyridinomycin A;4,6-Methano-5H-benz(h)oxazolo(3,2-a)pyrazino(3,2,1-de)(1,5)naphthyridine-10,13-dione, 1,2,3a,4,4a,6,7,9,13b,13c-decahydro-7-hydroxy-9-(hydroxymethyl)-11-methoxy-5,12-dimethyl-;DTXSID50970244;3-Methoxy-2,8-dimethyl-4b,5,6a,7,8,8a,8b,9,9a,11,12,12b-dodecahydro-7,9-methano-6,10-dioxa-8,8c,12a-triazaindeno[6,5,4-fg]aceanthrylene-1,4-dione

Chemical Property of S-Naphthyridinomycin A

Chemical Property:

• Vapor Pressure: 1.26E-14mmHg at 25°C
• Boiling Point: 605.9°Cat760mmHg
• Flash Point: 320.2°C
• Density: 1.51g/cm³
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 1
• Exact Mass: 399.17942091
• Heavy Atom Count: 29
• Complexity: 927

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=C(C(=O)C2=C(C1=O)C3C4C5C(CC(N5C)C6N4C2CO6)C7N3CCO7)OC
• Isomeric SMILES: CC1=C(C(=O)C2=C(C1=O)[C@@H]3[C@H]4[C@H]5[C@H](C[C@@H](N5C)[C@@H]6N4[C@H]2CO6)[C@@H]7N3CCO7)OC