1-(Hydroxymethyl)-5-[[4,5,6-Trihydroxy-3-(Hydroxymethyl)-1-Cyclohex-2-Enyl]Amino]Cyclohexane-1,2,3,4-Tetrol
[CAS# 106054-18-6]

Identification

• Name: 1-(Hydroxymethyl)-5-[[4,5,6-Trihydroxy-3-(Hydroxymethyl)-1-Cyclohex-2-Enyl]Amino]Cyclohexane-1,2,3,4-Tetrol
• Synonyms: 1-Methylol-5-[(4,5,6-Trihydroxy-3-Methylol-1-Cyclohex-2-Enyl)Amino]Cyclohexane-1,2,3,4-Tetrol; D-Epi-Inositol, 3,4-Dideoxy-2-C-(Hydroxymethyl)-4-((4,5,6-Trihydroxy-3-(Hydroxymethyl)-2-Cyclohexen-1-Yl)Amino)-, (1S-(1Alpha,4Alpha,5Beta,6Alpha))-; Validoxylamine G
• Molecular Formula: C₁₄H₂₅NO₉
• Molecular Weight: 351.35
• CAS Registry Number: 106054-18-6
• SMILES: C(O)C2(O)C(O)C(O)C(O)C(NC1C(O)C(O)C(O)C(=C1)CO)C2
• InChI: 1S/C14H25NO9/c16-3-5-1-6(9(19)11(21)8(5)18)15-7-2-14(24,4-17)13(23)12(22)10(7)20/h1,6-13,15-24H,2-4H2
• InChIKey: RZSPTXNJXPJAAB-UHFFFAOYSA-N

Properties

• Density: 1.713g/cm³ (Cal.)
• Boiling point: 619.454°C at 760 mmHg (Cal.)
• Flash point: 226.313°C (Cal.)