4-(Hydroxymethyl)-6-{[4,5,6-Trihydroxy-3-(Hydroxymethyl)-2-Cyclohexen-1-Yl]Amino}-1,2,3,5-Cyclohexanetetrol
Properties
Property | Value |
---|---|
Formula | C14H25NO9 |
IUPAC Name | (1s,2s,3r,4s,5r,6s)-4-(hydroxymethyl)-6-[[(1r,4r,5s,6s)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino]cyclohexane-1,2,3,5-tetrol |
Molecular Mass | 351.350 g·mol−1 |
Heat of Formation | -1693.2 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.13 ± 1.08 D |
Volume | 397.84 Å 3 |
Surface Area | 325.55 Å 2 |
HOMO Energy | -9.73 ± 0.55 eV |
LUMO Energy | 0.02 ± eV |
Point Group Symmetry | C1 |
InChIKey | OTSKEODGNQKECL-CVGZGUJQSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O N |