4'-Amino-3'-hydroxy-doxorubicin
[CAS# 106492-47-1]

Identification

• Name: 4'-Amino-3'-hydroxy-doxorubicin
• Synonyms: (7S,9S)-7-[(2R,4S,5S,6S)-5-Amino-4-Hydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-9-Glycoloyl-6,9,11-Trihydroxy-4-Methoxy-8,10-Dihydro-7H-Tetracene-5,12-Quinone; (7S,9S)-7-[(2R,4S,5S,6S)-5-Amino-4-Hydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-6,9,11-Trihydroxy-9-(2-Hydroxyacetyl)-4-Methoxy-8,10-Dihydro-7H-Tetracene-5,12-Dione; (7S,9S)-7-[[(2R,4S,5S,6S)-5-Amino-4-Hydroxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-6,9,11-Trihydroxy-9-(2-Hydroxy-1-Oxoethyl)-4-Methoxy-8,10-Dihydro-7H-Tetracene-5,12-Dione
• Molecular Formula: C₂₇H₂₉NO₁₁
• Molecular Weight: 543.53
• CAS Registry Number: 106492-47-1
• SMILES: [C@@H]3(O[C@@H]1O[C@H]([C@@H](N)[C@@H](O)C1)C)C2=C(O)C5=C(C(=C2C[C@](O)(C3)C(=O)CO)O)C(=O)C4=CC=CC(=C4C5=O)OC
• InChI: 1S/C27H29NO11/c1-10-22(28)13(30)6-17(38-10)39-15-8-27(36,16(31)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29-30,33,35-36H,6-9,28H2,1-2H3/t10-,13-,15-,17-,22+,27-/m0/s1
• InChIKey: DPWXJJCAARDEAI-TZSSRYMLSA-N

Properties

• Density: 1.615g/cm³ (Cal.)
• Boiling point: 817.014°C at 760 mmHg (Cal.)
• Flash point: 447.914°C (Cal.)