N-Acetyldoxorubicn
[CAS# 69299-74-7]

Identification

• Name: N-Acetyldoxorubicn
• Synonyms: N-[3-Hydroxy-2-Methyl-6-[[(1S,3S)-3,5,12-Trihydroxy-3-(2-Hydroxyacetyl)-10-Methoxy-6,11-Dioxo-2,4-Dihydro-1H-Tetracen-1-Yl]Oxy]Tetrahydropyran-4-Yl]Acetamide; N-[3-Hydroxy-2-Methyl-6-[[(1S,3S)-3,5,12-Trihydroxy-3-(2-Hydroxy-1-Oxoethyl)-10-Methoxy-6,11-Dioxo-2,4-Dihydro-1H-Tetracen-1-Yl]Oxy]-4-Tetrahydropyranyl]Acetamide; N-[6-[[(1S,3S)-3-Glycoloyl-3,5,12-Trihydroxy-6,11-Diketo-10-Methoxy-2,4-Dihydro-1H-Tetracen-1-Yl]Oxy]-3-Hydroxy-2-Methyl-Tetrahydropyran-4-Yl]Acetamide
• Molecular Formula: C₂₉H₃₁NO₁₂
• Molecular Weight: 585.56
• CAS Registry Number: 69299-74-7
• SMILES: [C@]2(O)(C[C@H](OC1OC(C)C(C(NC(C)=O)C1)O)C5=C(C2)C(=C4C(C3=C(C(=CC=C3)OC)C(=O)C4=C5O)=O)O)C(CO)=O
• InChI: 1S/C29H31NO12/c1-11-24(34)15(30-12(2)32)7-19(41-11)42-17-9-29(39,18(33)10-31)8-14-21(17)28(38)23-22(26(14)36)25(35)13-5-4-6-16(40-3)20(13)27(23)37/h4-6,11,15,17,19,24,31,34,36,38-39H,7-10H2,1-3H3,(H,30,32)/t11?,15?,17-,19?,24?,29-/m0/s1
• InChIKey: WMMDWCWHMHGCSH-JKHBLNKOSA-N

Properties

• Density: 1.585g/cm³ (Cal.)
• Boiling point: 895.138°C at 760 mmHg (Cal.)
• Flash point: 495.162°C (Cal.)