(2R)-3-{[{[(1S,2S,3R,4S,5S,6S)-2,6-Dihydroxy-3,4,5-Tris(Phosphonooxy)Cyclohexyl]Oxy}(Hydroxy)Phosphoryl]Oxy}-1,2-Propanediyl Dioctanoate
Properties
Property | Value |
---|---|
Formula | C25H50O22P4 |
IUPAC Name | [(2r)-3-[[(2s,3r,5s,6s)-2,6-dihydroxy-3,4,5-triphosphonooxy-cyclohexoxy]-hydroxy-phosphoryl]oxy-2-octanoyloxy-propyl] octanoate |
Molecular Mass | 826.546 g·mol−1 |
Heat of Formation | -5634.4 ± 16.7 kJ·mol−1 |
Dipole Moment | 6.63 ± 1.08 D |
Volume | 882.05 Å 3 |
Surface Area | 740.48 Å 2 |
HOMO Energy | -9.66 ± 0.55 eV |
LUMO Energy | -0.59 ± eV |
Point Group Symmetry | C1 |
InChIKey | ANFYVAHJWGJYAT-QLCNXWICSA-N |
QR Code | Generate QR Code |
Links | ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | P C O H |