4-(Hydroxymethyl)-6-[[2,3,4-Trihydroxy-5-(Hydroxymethyl)Cyclohexyl]Amino]Cyclohex-4-Ene-1,2,3-Triol
[CAS# 38665-10-0]

Identification

• Name: 4-(Hydroxymethyl)-6-[[2,3,4-Trihydroxy-5-(Hydroxymethyl)Cyclohexyl]Amino]Cyclohex-4-Ene-1,2,3-Triol
• Synonyms: 4-Methylol-6-[(2,3,4-Trihydroxy-5-Methylol-Cyclohexyl)Amino]Cyclohex-4-Ene-1,2,3-Triol; D-Chiro-Inositol, 1,5,6-Trideoxy-5-(Hydroxymethyl)-1-((4,5,6-Trihydroxy-3-(Hydroxymethyl)-2-Cyclohexen-1-Yl)Amino)-, (1S-(1Alpha,4Alpha,5Beta,6Alpha))-; D-Chiro-Inositol, 5-(Hydroxymethyl)-1,5,6-Trideoxy-1-((4,5,6-Trihydroxy-3-(Hydroxymethyl)-2-Cyclohexen-1-Yl)Amino)-, (1S-(1-Alpha,4-Alpha,5-Beta,6-Alpha))-
• Molecular Formula: C₁₄H₂₅NO₈
• Molecular Weight: 335.35
• CAS Registry Number: 38665-10-0
• SMILES: C(O)C2=CC(NC1C(O)C(O)C(O)C(C1)CO)C(O)C(O)C2O
• InChI: 1S/C14H25NO8/c16-3-5-1-7(11(20)13(22)9(5)18)15-8-2-6(4-17)10(19)14(23)12(8)21/h1,6-23H,2-4H2
• InChIKey: YCJYNBLLJHFIIW-UHFFFAOYSA-N

Properties

• Density: 1.613g/cm³ (Cal.)
• Boiling point: 602.576°C at 760 mmHg (Cal.)
• Flash point: 222.565°C (Cal.)

References

• (1): F. Cardona, A. Goti, C. Parmeggiani, P. Parenti, M. Forcella, P. Fusi, L. Cipolla, S. M. Roberts, G. J. Davies and T. M. Gloster. Casuarine-6-O-α-d-glucoside and its analogues are tight binding inhibitors of insect and bacterial trehalases, Chem. Commun., 2010