(+)-Validoxylamine-A
4-(hydroxymethyl)-6-[[2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]amino]cyclohex-4-ene-1,2,3-triol
Also Known As: Validoxylamine A|zinc lauric acid|(+)-Validoxylamine-A|DL-validoxylamine A|(+)-Validoxylamine A|NCI60_008244|4-(hydroxymethyl)-6-[[2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]amino]cyclohex-4-ene-1,2,3-triol|4-(hydroxymethyl)-6-{[2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]amino}cyclohex-4-ene-1,2,3-triol|4-(Hydroxymethyl)-6-((2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl)amino)-4-cyclohexene-1,2,3-triol|4-(Hydroxymethyl)-6-((2,3,4-Trihydroxy-5-(Hydroxymethyl)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 | 335.15802 g/mol |
| LogP | -4.1 |
| Topological Polar Surface Area | 174.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 335.15802 |
| Monoisotopic Mass | 335.15802 |
| Heavy Atoms | 23 |
| Complexity | 433.0 |
Chemical Identifiers
| CAS Number | 4975-85-3 |
|---|---|
| SMILES | C1C(C(C(C(C1NC2C=C(C(C(C2O)O)O)CO)O)O)O)CO |
| InChIKey | YCJYNBLLJHFIIW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(+)-Validoxylamine-A (CAS 4975-85-3), with molecular formula C14H25NO8 and molecular weight 335.15802 g/mol. IUPAC: 4-(hydroxymethyl)-6-[[2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]amino]cyclohex-4-ene-1,2,3-triol.