Sabarubicin hydrochloride

Base Information

• Chemical Name: Sabarubicin hydrochloride
• CAS No.: 169317-77-5
• Deprecated CAS: 428506-53-0
• Molecular Formula: C32H37 N O13 . Cl H
• Molecular Weight: 680.096
• UNII: 2Y0GD160CC
• DSSTox Substance ID: DTXSID80873335
• Wikidata: Q27255784

Synonyms:4-demethoxy-7-O-(2,6-dideoxy-4-O-(2,3,6-trideoxy-3-amino-alpha-L-lyxo-hexopyranosyl)-alpha-L-lyxo-hexopyranosyl)-adriamycinone;MEN 10755;MEN-10755;sabarubicin

Chemical Property of Sabarubicin hydrochloride

Chemical Property:

• Vapor Pressure: 5.2E-33mmHg at 25°C
• Boiling Point: 878.2°Cat760mmHg
• Flash Point: 484.9°C
• PSA: 235.53000
• Density: g/cm³
• LogP: 1.37600
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 6
• Exact Mass: 679.2031680
• Heavy Atom Count: 47
• Complexity: 1170

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

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Useful:

• Canonical SMILES: CC1C(C(CC(O1)OC2C(OC(CC2O)OC3CC(CC4=C3C(=C5C(=C4O)C(=O)C6=CC=CC=C6C5=O)O)(C(=O)CO)O)C)N)O.Cl
• Isomeric SMILES: C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@@H]2[C@@H](O[C@H](C[C@@H]2O)O[C@H]3C[C@@](CC4=C3C(=C5C(=C4O)C(=O)C6=CC=CC=C6C5=O)O)(C(=O)CO)O)C)N)O.Cl

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