2-[2,3-Dihydroxy-6-(Hydroxymethyl)-4-[[4,5,6-Trihydroxy-3-(Hydroxymethyl)-1-Cyclohex-2-Enyl]Amino]Cyclohexyl]Oxy-6-[[3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxymethyl]Oxane-3,4,5-Triol
[CAS# 130812-69-0]

Identification

• Name: 2-[2,3-Dihydroxy-6-(Hydroxymethyl)-4-[[4,5,6-Trihydroxy-3-(Hydroxymethyl)-1-Cyclohex-2-Enyl]Amino]Cyclohexyl]Oxy-6-[[3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxymethyl]Oxane-3,4,5-Triol
• Synonyms: 2-[2,3-Dihydroxy-6-(Hydroxymethyl)-4-[[4,5,6-Trihydroxy-3-(Hydroxymethyl)-1-Cyclohex-2-Enyl]Amino]Cyclohexoxy]-6-[[3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxymethyl]Tetrahydropyran-3,4,5-Triol; 2-[2,3-Dihydroxy-6-(Hydroxymethyl)-4-[[4,5,6-Trihydroxy-3-(Hydroxymethyl)-1-Cyclohex-2-Enyl]Amino]Cyclohexoxy]-6-[[3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxymethyl]Tetrahydropyran-3,4,5-Triol; 2-[2,3-Dihydroxy-6-Methylol-4-[(4,5,6-Trihydroxy-3-Methylol-1-Cyclohex-2-Enyl)Amino]Cyclohexoxy]-6-[(3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl)Oxymethyl]Tetrahydropyran-3,4,5-Triol
• Molecular Formula: C₂₆H₄₅NO₁₈
• Molecular Weight: 659.64
• CAS Registry Number: 130812-69-0
• SMILES: C(OC1OC(C(O)C(O)C1O)CO)C4OC(OC3C(O)C(O)C(NC2C(O)C(O)C(O)C(=C2)CO)CC3CO)C(O)C(O)C4O
• InChI: 1S/C26H45NO18/c28-3-7-1-9(14(32)18(36)13(7)31)27-10-2-8(4-29)24(21(39)15(10)33)45-26-23(41)20(38)17(35)12(44-26)6-42-25-22(40)19(37)16(34)11(5-30)43-25/h1,8-41H,2-6H2
• InChIKey: FSQHOQRBXQDUST-UHFFFAOYSA-N

Properties

• Density: 1.749g/cm³ (Cal.)
• Boiling point: 981.396°C at 760 mmHg (Cal.)
• Flash point: 547.328°C (Cal.)