(6S,9S,12S,15S,18R,19R)-12-[(2S)-2-Butanyl]-19-Hexyl-6-[(1R)-1-Hydroxyethyl]-9-(Hydroxymethyl)-15-Isobutyl-16,18-Dimethyl-1-Oxa-4,7,10,13,16-Pentaazacyclononadecane-2,5,8,11,14,17-Hexone
Properties
Property | Value |
---|---|
Formula | C32H57N5O9 |
IUPAC Name | (6s,9s,12s,15s,18r,19r)-19-hexyl-6-[(1r)-1-hydroxyethyl]-9-(hydroxymethyl)-15-isobutyl-16,18-dimethyl-12-[(1s)-1-methylpropyl]-1-oxa-4,7,10,13,16-pentazacyclononadecane-2,5,8,11,14,17-hexone |
Molecular Mass | 655.823 g·mol−1 |
Heat of Formation | -2101.7 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.04 ± 1.08 D |
Volume | 835.49 Å 3 |
Surface Area | 583.25 Å 2 |
HOMO Energy | -9.30 ± 0.55 eV |
LUMO Energy | 0.67 ± eV |
Point Group Symmetry | C1 |
InChIKey | VFGBXFZXJAWPOE-ZVHWZYRBSA-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 |