Disnogamycin

Base Information

• Chemical Name: Disnogamycin
• CAS No.: 64267-46-5
• Molecular Formula: C37H47 N O14
• Molecular Weight: 729.85
• DSSTox Substance ID: DTXSID60982813
• Nikkaji Number: J59.187D
• Wikidata: Q82969654
• ChEMBL ID: CHEMBL468407
• Mol file: 64267-46-5.mol

Synonyms:Disnogamycin;Nogamycin;64267-46-5;BRN 5217150;2,6-Epoxy-2H-naphthaceno(1,2-b)oxocin-9,16-dione, 3,4,5,6,11,12,13,14-octahydro-11-((6-deoxy-3-C-methyl-2,3,4-tri-O-methyl-alpha-L-mannopyranosyl)oxy)-4-(dimethylamino)-3,5,8,10,13-pentahydroxy-6,13-dimethyl-, (2-alpha,3-beta,4-alpha,5-beta,6-alpha,11-beta,13-alpha)-(+)-;CHEMBL468407;DTXSID60982813;C37H47NO14;C37-H47-N-O14;LS-64095;2,6-Epoxy-2H-naphthaceno[1,2-b]oxocin-9,16-dione, 11-[(6-deoxy-3-C-methyl-2,3,4-tri-O-methyl-.alpha.-L-mannopyranosyl)oxy]-4-(dimethylamino)-3,4,5,6,11,12,13,14-octahydro-3,5,8,10,13-pentahydroxy-6,13-dimethyl-, (2.alpha.,3.beta.,4.alpha.,5.beta.,6.alpha.,11.beta.,13.alpha.)-()-;4-(Dimethylamino)-3,5,8,10,13-pentahydroxy-6,13-dimethyl-9,16-dioxo-3,4,5,6,9,11,12,13,14,16-decahydro-2H-2,6-epoxytetraceno[1,2-b]oxocin-11-yl 6-deoxy-3-C-methyl-2,3,4-tri-O-methylhexopyranoside

Chemical Property of Disnogamycin

Chemical Property:

• Vapor Pressure: 3.49E-33mmHg at 25°C
• Melting Point: 212.5°C (rough estimate)
• Refractive Index: 1.5350 (estimate)
• Boiling Point: 880.3°Cat760mmHg
• Flash Point: 486.2°C
• PSA: 203.14000
• Density: 1.48g/cm³
• LogP: 1.42390
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 6
• Exact Mass: 729.29965517
• Heavy Atom Count: 52
• Complexity: 1390

Purity/Quality:

99% ^*data from raw suppliers

DISNOGAMYCIN 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(C(C(C(O1)OC2CC(CC3=CC4=C(C(=C23)O)C(=O)C5=C(C=C6C(=C5C4=O)OC7C(C(C(C6(O7)C)O)N(C)C)O)O)(C)O)OC)(C)OC)OC
• Isomeric SMILES: C[C@H]1[C@@H]([C@@]([C@H]([C@@H](O1)O[C@H]2C[C@](CC3=CC4=C(C(=C23)O)C(=O)C5=C(C=C6C(=C5C4=O)O[C@H]7[C@H]([C@@H]([C@H]([C@@]6(O7)C)O)N(C)C)O)O)(C)O)OC)(C)OC)OC