9,10-Anhydroadriamycin
[CAS# 80996-23-2]

Identification

• Name: 9,10-Anhydroadriamycin
• Synonyms: (7S)-7-[(2R,4S,5S,6S)-4-Amino-5-Hydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-6,11-Dihydroxy-9-(2-Hydroxyacetyl)-4-Methoxy-7,8-Dihydrotetracene-5,12-Dione; (7S)-7-[[(2R,4S,5S,6S)-4-Amino-5-Hydroxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-6,11-Dihydroxy-9-(2-Hydroxy-1-Oxoethyl)-4-Methoxy-7,8-Dihydrotetracene-5,12-Dione; (7S)-7-[(2R,4S,5S,6S)-4-Amino-5-Hydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-9-Glycoloyl-6,11-Dihydroxy-4-Methoxy-7,8-Dihydrotetracene-5,12-Quinone
• Molecular Formula: C₂₇H₂₇NO₁₀
• Molecular Weight: 525.51
• CAS Registry Number: 80996-23-2
• SMILES: [C@@H]3(O[C@@H]1O[C@H]([C@@H](O)[C@@H](N)C1)C)C2=C(O)C5=C(C(=C2C=C(C3)C(=O)CO)O)C(=O)C4=CC=CC(=C4C5=O)OC
• InChI: 1S/C27H27NO10/c1-10-23(31)14(28)8-18(37-10)38-17-7-11(15(30)9-29)6-13-20(17)27(35)22-21(25(13)33)24(32)12-4-3-5-16(36-2)19(12)26(22)34/h3-6,10,14,17-18,23,29,31,33,35H,7-9,28H2,1-2H3/t10-,14-,17-,18-,23+/m0/s1
• InChIKey: GNZRKCZTDXRJOT-DYOIPSMXSA-N

Properties

• Density: 1.582g/cm³ (Cal.)
• Boiling point: 788.698°C at 760 mmHg (Cal.)
• Flash point: 430.789°C (Cal.)