4-O-[4-O-(alpha-D-Glucopyranosyl)-beta-D-Glucopyranosyl]-5-(Hydroxymethyl)-1-[[(1S,4R,5S,6S)-4,5,6-Trihydroxy-3-(Hydroxymethyl)-2-Cyclohexen-1-Yl]Amino]-1,5,6-Trideoxy-D-Chiro-Inositol
[CAS# 12650-71-4]

Identification

• Name: 4-O-[4-O-(alpha-D-Glucopyranosyl)-beta-D-Glucopyranosyl]-5-(Hydroxymethyl)-1-[[(1S,4R,5S,6S)-4,5,6-Trihydroxy-3-(Hydroxymethyl)-2-Cyclohexen-1-Yl]Amino]-1,5,6-Trideoxy-D-Chiro-Inositol
• Synonyms: 2-[6-[2,3-Dihydroxy-6-(Hydroxymethyl)-4-[[4,5,6-Trihydroxy-3-(Hydroxymethyl)-1-Cyclohex-2-Enyl]Amino]Cyclohexoxy]-4,5-Dihydroxy-2-(Hydroxymethyl)Tetrahydropyran-3-Yl]Oxy-6-(Hydroxymethyl)Tetrahydropyran-3,4,5-Triol; 2-[[6-[2,3-Dihydroxy-6-(Hydroxymethyl)-4-[[4,5,6-Trihydroxy-3-(Hydroxymethyl)-1-Cyclohex-2-Enyl]Amino]Cyclohexoxy]-4,5-Dihydroxy-2-(Hydroxymethyl)-3-Tetrahydropyranyl]Oxy]-6-(Hydroxymethyl)Tetrahydropyran-3,4,5-Triol; 2-[6-[2,3-Dihydroxy-6-Methylol-4-[(4,5,6-Trihydroxy-3-Methylol-1-Cyclohex-2-Enyl)Amino]Cyclohexoxy]-4,5-Dihydroxy-2-Methylol-Tetrahydropyran-3-Yl]Oxy-6-Methylol-Tetrahydropyran-3,4,5-Triol
• Molecular Formula: C₂₆H₄₅NO₁₈
• Molecular Weight: 659.64
• CAS Registry Number: 12650-71-4
• SMILES: C(O)C3OC(OC2C(O)C(O)C(NC1C(O)C(O)C(O)C(=C1)CO)CC2CO)C(O)C(O)C3OC4OC(C(O)C(O)C4O)CO
• InChI: 1S/C26H45NO18/c28-3-7-1-9(14(33)17(36)13(7)32)27-10-2-8(4-29)23(19(38)15(10)34)44-26-22(41)20(39)24(12(6-31)43-26)45-25-21(40)18(37)16(35)11(5-30)42-25/h1,8-41H,2-6H2
• InChIKey: MSZAIRLAOKNKFW-UHFFFAOYSA-N

Properties

• Density: 1.749g/cm³ (Cal.)
• Boiling point: 984.829°C at 760 mmHg (Cal.)
• Flash point: 549.405°C (Cal.)