4'-Deoxydaunomycin
[CAS# 63568-77-4]

Identification

• Name: 4'-Deoxydaunomycin
• Synonyms: (7S,9S)-9-Acetyl-7-[(2R,4S,6R)-4-Amino-6-Methyl-Tetrahydropyran-2-Yl]Oxy-6,9,11-Trihydroxy-4-Methoxy-8,10-Dihydro-7H-Tetracene-5,12-Dione Hydrochloride; (7S,9S)-9-Acetyl-7-[[(2R,4S,6R)-4-Amino-6-Methyl-2-Tetrahydropyranyl]Oxy]-6,9,11-Trihydroxy-4-Methoxy-8,10-Dihydro-7H-Tetracene-5,12-Dione Hydrochloride; (7S,9S)-9-Acetyl-7-[(2R,4S,6R)-4-Amino-6-Methyl-Tetrahydropyran-2-Yl]Oxy-6,9,11-Trihydroxy-4-Methoxy-8,10-Dihydro-7H-Tetracene-5,12-Quinone Hydrochloride
• Molecular Formula: C₂₇H₃₀ClNO₉
• Molecular Weight: 547.99
• CAS Registry Number: 63568-77-4
• SMILES: [C@]2(O)(C[C@H](O[C@H]1O[C@@H](C[C@H](N)C1)C)C3=C(C2)C(=C4C(=C3O)C(=O)C5=C(C4=O)C=CC=C5OC)O)C(=O)C.[H+].[Cl-]
• InChI: 1S/C27H29NO9.ClH/c1-11-7-13(28)8-18(36-11)37-17-10-27(34,12(2)29)9-15-20(17)26(33)22-21(24(15)31)23(30)14-5-4-6-16(35-3)19(14)25(22)32;/h4-6,11,13,17-18,31,33-34H,7-10,28H2,1-3H3;1H/t11-,13+,17+,18-,27+;/m1./s1
• InChIKey: GWFZKHINCFHION-HCPKQARPSA-N

Properties

• Boiling point: 726.2°C at 760 mmHg (Cal.)
• Flash point: 393°C (Cal.)