11-Deoxydaunomycinol

Base Information

• Chemical Name: 11-Deoxydaunomycinol
• CAS No.: 71800-90-3
• Molecular Formula: C27H31NO9
• Molecular Weight: 513.54
• DSSTox Substance ID: DTXSID10992462
• Wikidata: Q82982650

Synonyms:71800-90-3;11-Deoxydaunomycinol;DTXSID10992462;5,12-Naphthacenedione, 10-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-8,11-dihydroxy-8-(1-hydroxyethyl)-1-methoxy-;3,12-Dihydroxy-3-(1-hydroxyethyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxyhexopyranoside

Chemical Property of 11-Deoxydaunomycinol

Chemical Property:

• Vapor Pressure: 7.25E-24mmHg at 25°C
• Boiling Point: 753.7°C at 760 mmHg
• PKA: 6.80±0.60(Predicted)
• Flash Point: 409.6°C
• PSA: 168.77000
• Density: 1.49g/cm³
• LogP: 1.81540
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 4
• Exact Mass: 513.19988157
• Heavy Atom Count: 37
• Complexity: 886

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(C(CC(O1)OC2CC(CC3=CC4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)(C(C)O)O)N)O

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