9-(1,2-Dihydroxyethyl)-7-[(2R,3R,4R,5S,6S)-3-Fluoro-4,5-Dihydroxy-6-Methyloxan-2-Yl]Oxy-6,9,11-Trihydroxy-4-Methoxy-8,10-Dihydro-7H-Tetracene-5,12-Dione
[CAS# 129051-72-5]

Identification

• Name: 9-(1,2-Dihydroxyethyl)-7-[(2R,3R,4R,5S,6S)-3-Fluoro-4,5-Dihydroxy-6-Methyloxan-2-Yl]Oxy-6,9,11-Trihydroxy-4-Methoxy-8,10-Dihydro-7H-Tetracene-5,12-Dione
• Synonyms: 9-(1,2-Dihydroxyethyl)-7-[(2R,3R,4R,5S,6S)-3-Fluoro-4,5-Dihydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-6,9,11-Trihydroxy-4-Methoxy-8,10-Dihydro-7H-Tetracene-5,12-Dione; 9-(1,2-Dihydroxyethyl)-7-[[(2R,3R,4R,5S,6S)-3-Fluoro-4,5-Dihydroxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-6,9,11-Trihydroxy-4-Methoxy-8,10-Dihydro-7H-Tetracene-5,12-Dione; 9-(1,2-Dihydroxyethyl)-7-[(2R,3R,4R,5S,6S)-3-Fluoro-4,5-Dihydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-6,9,11-Trihydroxy-4-Methoxy-8,10-Dihydro-7H-Tetracene-5,12-Quinone
• Molecular Formula: C₂₇H₂₉FO₁₂
• Molecular Weight: 564.52
• CAS Registry Number: 129051-72-5
• SMILES: [C@@H]5(OC2C1=C(O)C4=C(C(=C1CC(O)(C2)C(O)CO)O)C(=O)C3=CC=CC(=C3C4=O)OC)O[C@H]([C@@H](O)[C@@H](O)[C@H]5F)C
• InChI: 1S/C27H29FO12/c1-9-20(31)25(36)19(28)26(39-9)40-13-7-27(37,14(30)8-29)6-11-16(13)24(35)18-17(22(11)33)21(32)10-4-3-5-12(38-2)15(10)23(18)34/h3-5,9,13-14,19-20,25-26,29-31,33,35-37H,6-8H2,1-2H3/t9-,13?,14?,19+,20+,25-,26-,27?/m0/s1
• InChIKey: ITUKHSMHHBXKJZ-NHZDLFQUSA-N

Properties

• Density: 1.675g/cm³ (Cal.)
• Boiling point: 838.594°C at 760 mmHg (Cal.)
• Flash point: 460.965°C (Cal.)