4-O-(2',6'-Dideoxyhexopyranosyl)-1,2,3,4-Tetrahydro-2,4,5,12-Tetrahydroxy-2-Hydroxymethyl-6,11-Naphthacenedione
[CAS# 100648-98-4]

Identification

• Name: 4-O-(2',6'-Dideoxyhexopyranosyl)-1,2,3,4-Tetrahydro-2,4,5,12-Tetrahydroxy-2-Hydroxymethyl-6,11-Naphthacenedione
• Synonyms: (7S,9R)-7-[(2S,4S,5S,6S)-4,5-Dihydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-6,9,11-Trihydroxy-9-(Hydroxymethyl)-8,10-Dihydro-7H-Tetracene-5,12-Dione; (7S,9R)-7-[[(2S,4S,5S,6S)-4,5-Dihydroxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-6,9,11-Trihydroxy-9-(Hydroxymethyl)-8,10-Dihydro-7H-Tetracene-5,12-Dione; (7S,9R)-7-[(2S,4S,5S,6S)-4,5-Dihydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-6,9,11-Trihydroxy-9-Methylol-8,10-Dihydro-7H-Tetracene-5,12-Quinone
• Molecular Formula: C₂₅H₂₆O₁₀
• Molecular Weight: 486.47
• CAS Registry Number: 100648-98-4
• SMILES: [C@@H]3(O[C@H]1O[C@H]([C@@H](O)[C@@H](O)C1)C)C2=C(O)C4=C(C(=C2C[C@@](O)(C3)CO)O)C(=O)C5=C(C4=O)C=CC=C5
• InChI: 1S/C25H26O10/c1-10-20(28)14(27)6-16(34-10)35-15-8-25(33,9-26)7-13-17(15)24(32)19-18(23(13)31)21(29)11-4-2-3-5-12(11)22(19)30/h2-5,10,14-16,20,26-28,31-33H,6-9H2,1H3/t10-,14-,15-,16+,20+,25+/m0/s1
• InChIKey: VUZRLSUWFZKNKC-MUDRDAHASA-N

Properties

• Density: 1.643g/cm³ (Cal.)
• Boiling point: 736.759°C at 760 mmHg (Cal.)
• Flash point: 252.428°C (Cal.)