(14R)-3β,5,6β,10,16-Pentahydroxygrayanotoxan-14-Yl Acetate
Properties
Property | Value |
---|---|
Formula | C22H36O7 |
IUPAC Name | (14r)-3beta,5,6beta,10,16-pentahydroxygrayanotoxan-14-yl acetate |
Molecular Mass | 412.517 g·mol−1 |
Heat of Formation | -1542.6 ± 16.7 kJ·mol−1 |
Dipole Moment | 1.61 ± 1.08 D |
Volume | 489.28 Å 3 |
Surface Area | 349.11 Å 2 |
HOMO Energy | -9.94 ± 0.55 eV |
LUMO Energy | 0.85 ± eV |
Point Group Symmetry | C1 |
Synonyms |
|
CAS Number(s) |
|
InChIKey | NXCYBYJXCJWMRY-XNELDADBSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |