(2S,3S,4R,5R,6S)-2-[2-Hexyl-2-[[(2S,3S,4R,5R,6S)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxymethyl]Octoxy]-6-(Hydroxymethyl)Tetrahydropyran-3,4,5-Triol
Properties
Property | Value |
---|---|
Formula | C27H52O12 |
IUPAC Name | (2s,3s,4r,5r,6s)-2-[2-hexyl-2-[[(2s,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]octoxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol |
Molecular Mass | 568.695 g·mol−1 |
Heat of Formation | -2500.9 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.21 ± 1.08 D |
Volume | 726.05 Å 3 |
Surface Area | 578.58 Å 2 |
HOMO Energy | -10.49 ± 0.55 eV |
LUMO Energy | 4.17 ± eV |
Point Group Symmetry | C2 |
InChIKey | TYXCLOLHZMMLEK-RNDJEAJNSA-N |
QR Code | Generate QR Code |
Links | PubChem |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |