Methyl (1R,10S,12S,13R,21R,22S,23R,24R)-10-[(6-Deoxy-3-C-Methyl-2,3,4-Tri-O-Methyl-α-L-Mannopyranosyl)Oxy]-4,8,12,22,24-Pentahydroxy-23-[(Hydroxymethyl)(Methyl)Amino]-1,12-Dimethyl-6,17-Dioxo-20,25-Dioxahexacyclo[19.3.1.0~2,19~.0~5,18~.0~7,16~.0~9,14~]Pentacosa-2,4,7(16),8,14,18-Hexaene-13-Carboxylate
Properties
| Property | Value |
|---|---|
| Formula | C39H49NO17 |
| IUPAC Name | methyl (1r,10s,12s,13r,21r,22s,23r,24r)-10-[(6-deoxy-3-c-methyl-2,3,4-tri-o-methyl-α-l-mannopyranosyl)oxy]-4,8,12,22,24-pentahydroxy-23-[(hydroxymethyl)(methyl)amino]-1,12-dimethyl-6,17-dioxo-20,25-dioxahexacyclo[19.3.1.0 2,19 .0 5,18 .0 7,16 .0 9,14 ]pentacosa-2,4,7(16),8,14,18-hexaene-13-carboxylate |
| Molecular Mass | 803.803 g·mol−1 |
| Heat of Formation | -2951.5 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.99 ± 1.08 D |
| Volume | 873.42 Å 3 |
| Surface Area | 652.65 Å 2 |
| HOMO Energy | -8.97 ± 0.55 eV |
| LUMO Energy | -1.62 ± eV |
| Point Group Symmetry | C1 |
| Synonyms |
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| InChIKey | LZNCBRPUGPTNSO-JYOBTZKQSA-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 |