Acetylkidamycin

Base Information

• Chemical Name: Acetylkidamycin
• CAS No.: 39293-24-8
• Molecular Formula: C46H58N2O13
• Molecular Weight: 847.06
• Wikidata: Q76327631
• Mol file: 39293-24-8.mol

Synonyms:Acetylkidamycin;KIDAMYCIN, ACETYL-;NSC 143093;4H-Anthra(1,2-b)pyran-4,7(12H)-dione, 12-(acetyloxy)-8-(4-O-acetyl-2,3,6-trideoxy-3-(dimethylamino)-beta-D-arabino-hexopyranosyl)-10-(4-O-acetyl-2,3,6-trideoxy-3-(dimethylamino)-3-C-methyl-alpha-L-lyxo-hexopyranosyl)-11-hydroxy-12-methoxy-5-methyl-2-(1-methyl-1-propenyl)-, (R-(E))-;39293-24-8;C46H58N2O13;C46-H58-N2-O13;LS-20600

Chemical Property of Acetylkidamycin

Chemical Property:

• Vapor Pressure: 2.06E-29mmHg at 25°C
• Refractive Index: 1.4670 (estimate)
• Boiling Point: 838.6°Cat760mmHg
• Flash Point: 460.9°C
• PSA: 180.58000
• Density: 1.3g/cm³
• LogP: 5.99890
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 12
• Exact Mass: 846.39388991
• Heavy Atom Count: 61
• Complexity: 1780

Purity/Quality:

99% ^*data from raw suppliers

ACETYLKIDAMYCIN 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC=C(C)C1=CC(=O)C2=C(O1)C3=C(C=C2C)C(=O)C4=C(C3(OC)OC(=O)C)C(=C(C=C4C5CC(C(C(O5)C)OC(=O)C)N(C)C)C6CC(C(C(O6)C)OC(=O)C)(C)N(C)C)O
• Isomeric SMILES: C/C=C(\C)/C1=CC(=O)C2=C(O1)C3=C(C=C2C)C(=O)C4=C([C@@]3(OC)OC(=O)C)C(=C(C=C4[C@H]5C[C@H]([C@@H]([C@H](O5)C)OC(=O)C)N(C)C)[C@H]6C[C@]([C@@H]([C@@H](O6)C)OC(=O)C)(C)N(C)C)O