(2S,5S)-9-[(1S,2S)-2,3-Dihydroxy-1-(1H-Indol-3-Yl)Propyl]-5-(Hydroxymethyl)-2-Isopropyl-1-Methyl-1,2,4,5,6,8-Hexahydro-3H-[1,4]Diazonino[7,6,5-Cd]Indol-3-One
Properties
Property | Value |
---|---|
Formula | C28H34N4O4 |
IUPAC Name | (2s,5s)-9-[(1s,2s)-2,3-dihydroxy-1-(1h-indol-3-yl)propyl]-5-(hydroxymethyl)-2-isopropyl-1-methyl-1,2,4,5,6,8-hexahydro-3h-[1,4]diazonino[7,6,5-cd]indol-3-one |
Molecular Mass | 490.594 g·mol−1 |
Heat of Formation | -503.6 ± 16.7 kJ·mol−1 |
Dipole Moment | 6.22 ± 1.08 D |
Volume | 587.49 Å 3 |
Surface Area | 435.8 Å 2 |
HOMO Energy | -7.96 ± 0.55 eV |
LUMO Energy | 2.36 ± eV |
Point Group Symmetry | C1 |
InChIKey | NXVPLRFWXAISBZ-QLPZLAKISA-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 |