Aspiculamycin

Base Information

• Chemical Name: Aspiculamycin
• CAS No.: 2096-42-6
• Deprecated CAS: 11027-42-2,17650-96-3,25630-85-7,41744-55-2
• Molecular Formula: C₁₆H₂₅N₇O₈
• Molecular Weight: 443.417
• UNII: ALH0452B20
• DSSTox Substance ID: DTXSID601016880
• Nikkaji Number: J37.101G
• Wikipedia: Gougerotin
• Wikidata: Q27273990
• Mol file: 2096-42-6.mol

Synonyms:aspiculamycin;asteromycin;gougerotin

Chemical Property of Aspiculamycin

Chemical Property:

• Melting Point: 211-217° (dec)
• Refractive Index: 1.6800 (estimate)
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 244.15000
• Density: 1.82g/cm³
• LogP: -3.43450
• XLogP3: -5.4
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 8
• Exact Mass: 443.17646078
• Heavy Atom Count: 31
• Complexity: 788

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CNCC(=O)NC(CO)C(=O)NC1C(C(C(OC1C(=O)N)N2C=CC(=NC2=O)N)O)O
• Isomeric SMILES: CNCC(=O)N[C@H](CO)C(=O)N[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1C(=O)N)N2C=CC(=NC2=O)N)O)O

Technology Process of Aspiculamycin

There total 1 articles about Aspiculamycin which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

→ ningnanmycin (2096-42-6,24317-86-0,90241-99-9)

Guidance literature:

aus 1--cytosin in NH3-ges. Me. (20grad);

DOI:10.1021/jm00242a001

Refernces

• 1、 Haneishi,Terahara,Arai. "Aspiculamycin, a new cytosine nucleoside antibiotic. II. Physico chemical properties and structural elucidation". . p. 334 - 338. Retrieved 2007/10/09.