(2R,3R,4S,5S,6S)-6-Carboxy-N-[3-(10,11-Dihydro-5H-Dibenzo[A,D][7]Annulen-5-Ylidene)Propyl]-3,4,5-Trihydroxy-N,N-Dimethyltetrahydro-2H-Pyran-2-Aminium
Properties
Property | Value |
---|---|
Formula | C26H31NO6 |
IUPAC Name | (2r,3s,4r,5s,6s)-6-[3-(5,6-dihydrodibenzo[1,2-a:1',2'-e][7]annulen-11-ylidene)propyl-dimethyl-ammonio]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylate |
Molecular Mass | 453.527 g·mol−1 |
Heat of Formation | -843.4 ± 16.7 kJ·mol−1 |
Dipole Moment | 9.95 ± 1.08 D |
Volume | 528.52 Å 3 |
Surface Area | 396.49 Å 2 |
HOMO Energy | -8.96 ± 0.55 eV |
LUMO Energy | 2.58 ± eV |
Point Group Symmetry | C1 |
InChIKey | WXMXRAPAGYPAJI-MQZWXTIWSA-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 |