1-Methyl-9H-β-Carbolin-7-Yl D-Glucopyranosiduronic Acid
Properties
| Property | Value |
|---|---|
| Formula | C18H18N2O7 |
| IUPAC Name | (2s,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[(1-methyl-9h-pyrido[3,4-b]indol-7-yl)oxy]tetrahydropyran-2-carboxylic acid |
| Molecular Mass | 374.345 g·mol−1 |
| Heat of Formation | -995.5 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.48 ± 1.08 D |
| Volume | 408.75 Å 3 |
| Surface Area | 363.43 Å 2 |
| HOMO Energy | -8.58 ± 0.55 eV |
| LUMO Energy | -0.64 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | CDBONOOLMKZYJF-RNGZQALNSA-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 |