N-Acetyl-S-(4A,6,8,12A,12B-Pentahydroxy-3-Methyl-1,7,12-Trioxo-4,4A,5,6,7,12,12A,12B-Octahydro-6A(1H)-Tetraphenyl)Cysteine
Properties
| Property | Value |
|---|---|
| Formula | C24H25NO11S |
| IUPAC Name | (2r)-3-[[(4ar,6r,6ar,12ar,12br)-4a,6,8,12a,12b-pentahydroxy-3-methyl-1,7,12-trioxo-5,6-dihydro-4h-benzo[a]anthracen-6a-yl]sulfanyl]-2-acetamido-propanoic acid |
| Molecular Mass | 535.520 g·mol−1 |
| Heat of Formation | -1880.2 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.46 ± 1.08 D |
| Volume | 561.32 Å 3 |
| Surface Area | 403.05 Å 2 |
| HOMO Energy | -9.24 ± 0.55 eV |
| LUMO Energy | -1.52 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | JTSMUTXXQIUBJR-CVBBKDRPSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H S C O N |