(4S,5S,6R,12Ar)-6-{[(3-Chloropropyl)Sulfanyl]Methyl}-4-(Dimethylamino)-1,5,10,11,12A-Pentahydroxy-3,12-Dioxo-3,4,4A,5,5A,6,12,12A-Octahydro-2-Tetracenecarboxamide
Properties
| Property | Value |
|---|---|
| Formula | C25H29ClN2O8S |
| IUPAC Name | (4s,4ar,5s,5ar,6r,12ar)-6-(3-chloropropylsulfanylmethyl)-4-(dimethylamino)-1,5,10,11,12a-pentahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4h-tetracene-2-carboxamide |
| Molecular Mass | 553.024 g·mol−1 |
| Heat of Formation | -1276.7 ± 16.7 kJ·mol−1 |
| Dipole Moment | 10.82 ± 1.08 D |
| Volume | 609.44 Å 3 |
| Surface Area | 459.72 Å 2 |
| HOMO Energy | -8.80 ± 0.55 eV |
| LUMO Energy | -1.27 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | IUJWLJFAPCFVGG-QMANMTJXSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C Cl H O N S |