3-(Cyanomethyl)-1-(4-Deoxy-6-Methylhexopyranosyluronosyl)-4-Methoxy-1H-Indole
Properties
Property | Value |
---|---|
Formula | C18H20N2O6 |
IUPAC Name | methyl (2r,4s,5s,6r)-6-[3-(cyanomethyl)-4-methoxy-indol-1-yl]-4,5-dihydroxy-tetrahydropyran-2-carboxylate |
Molecular Mass | 360.361 g·mol−1 |
Heat of Formation | -776.6 ± 16.7 kJ·mol−1 |
Dipole Moment | 7.82 ± 1.08 D |
Volume | 410.18 Å 3 |
Surface Area | 357.65 Å 2 |
HOMO Energy | -8.16 ± 0.55 eV |
LUMO Energy | -0.19 ± eV |
Point Group Symmetry | C1 |
InChIKey | HTFYSSZLIDVAIP-JSQNDZKTSA-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 |