(8S,10S)-10-(2R,4S,5S,6S)-4-Aminotetrahydro-5-Iodo-6-Methyl-2H-Pyran-2-Yloxy-7,8,9,10-Tetrahydro-6,8,11-Trihydroxy-8-(Hydroxyacetyl)-1-Methoxy-5,12-Naphthacenedione
[CAS# 83997-75-5]

Identification

• Name: (8S,10S)-10-(2R,4S,5S,6S)-4-Aminotetrahydro-5-Iodo-6-Methyl-2H-Pyran-2-Yloxy-7,8,9,10-Tetrahydro-6,8,11-Trihydroxy-8-(Hydroxyacetyl)-1-Methoxy-5,12-Naphthacenedione
• Synonyms: (7S,9S)-7-[(2R,4S,5S,6S)-4-Amino-5-Iodo-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)-4-Amino-5-Iodo-6-Methyl-2-Tetrahydropyranyl]Oxy]-6,9,11-Trihydroxy-9-(2-Hydroxy-1-Oxoethyl)-4-Methoxy-8,10-Dihydro-7H-Tetracene-5,12-Dione; (7S,9S)-7-[(2R,4S,5S,6S)-4-Amino-5-Iodo-6-Methyl-Tetrahydropyran-2-Yl]Oxy-9-Glycoloyl-6,9,11-Trihydroxy-4-Methoxy-8,10-Dihydro-7H-Tetracene-5,12-Quinone
• Molecular Formula: C₂₇H₂₈INO₁₀
• Molecular Weight: 653.42
• CAS Registry Number: 83997-75-5
• SMILES: [C@H]4(C3=C(C(=C2C(C1=CC=CC(=C1C(C2=C3O)=O)OC)=O)O)C[C@](C(CO)=O)(O)C4)O[C@H]5C[C@@H]([C@H](I)[C@@H](O5)C)N
• InChI: 1S/C27H28INO10/c1-10-22(28)13(29)6-17(38-10)39-15-8-27(36,16(31)9-30)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/h3-5,10,13,15,17,22,30,33,35-36H,6-9,29H2,1-2H3/t10-,13-,15-,17-,22+,27-/m0/s1
• InChIKey: PDQGEKGUTOTUNV-TZSSRYMLSA-N

Properties

• Density: 1.82g/cm³ (Cal.)
• Boiling point: 813.24°C at 760 mmHg (Cal.)
• Flash point: 445.631°C (Cal.)