N-Acetyl-S-[(5,10-Dihydroxy-4,9-Dimethoxy-6-Oxo-7,8,9,11-Tetrahydro-6H-Benzo[B]Fluoren-2-Yl)Methyl]Cysteine
Properties
Property | Value |
---|---|
Formula | C25H27NO8S |
IUPAC Name | (2s)-2-acetamido-3-[[(9r)-5,10-dihydroxy-4,9-dimethoxy-6-oxo-7,8,9,11-tetrahydrobenzo[b]fluoren-2-yl]methylsulfanyl]propanoic acid |
Molecular Mass | 501.549 g·mol−1 |
Heat of Formation | -1259.4 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.82 ± 1.08 D |
Volume | 560.82 Å 3 |
Surface Area | 472.86 Å 2 |
HOMO Energy | -8.46 ± 0.55 eV |
LUMO Energy | 2.00 ± eV |
Point Group Symmetry | C1 |
InChIKey | XSTMCEQPHBSFEK-RDJZCZTQSA-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 |