3'-Epidaunorubicin
[CAS# 66322-65-4]

Identification

• Name: 3'-Epidaunorubicin
• Synonyms: (7S,9S)-9-Acetyl-7-[(2R,4R,5S,6S)-4-Amino-5-Hydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-6,9,11-Trihydroxy-4-Methoxy-8,10-Dihydro-7H-Tetracene-5,12-Dione; (7S,9S)-9-Acetyl-7-[[(2R,4R,5S,6S)-4-Amino-5-Hydroxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-6,9,11-Trihydroxy-4-Methoxy-8,10-Dihydro-7H-Tetracene-5,12-Dione; (7S,9S)-9-Acetyl-7-[(2R,4R,5S,6S)-4-Amino-5-Hydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-6,9,11-Trihydroxy-4-Methoxy-8,10-Dihydro-7H-Tetracene-5,12-Quinone
• Molecular Formula: C₂₇H₂₉NO₁₀
• Molecular Weight: 527.53
• CAS Registry Number: 66322-65-4
• SMILES: [C@@H]3(O[C@@H]1O[C@H]([C@@H](O)[C@H](N)C1)C)C2=C(O)C4=C(C(=C2C[C@](O)(C3)C(=O)C)O)C(=O)C5=C(C4=O)C(=CC=C5)OC
• InChI: 1S/C27H29NO10/c1-10-22(30)14(28)7-17(37-10)38-16-9-27(35,11(2)29)8-13-19(16)26(34)21-20(24(13)32)23(31)12-5-4-6-15(36-3)18(12)25(21)33/h4-6,10,14,16-17,22,30,32,34-35H,7-9,28H2,1-3H3/t10-,14+,16-,17-,22+,27-/m0/s1
• InChIKey: STQGQHZAVUOBTE-GKPNIHARSA-N

Properties

• Density: 1.554g/cm³ (Cal.)
• Boiling point: 769.977°C at 760 mmHg (Cal.)
• Flash point: 419.467°C (Cal.)