3-{[{[(2S,3R,5S,6S)-2,6-Dihydroxy-3,4,5-Tris(Phosphonooxy)Cyclohexyl]Oxy}(Hydroxy)Phosphoryl]Oxy}-1,2-Propanediyl Dihexadecanoate
Properties
Property | Value |
---|---|
Formula | C41H82O22P4 |
IUPAC Name | [(2s)-3-[[(2s,3r,5s,6s)-2,6-dihydroxy-3,4,5-triphosphonooxy-cyclohexoxy]-hydroxy-phosphoryl]oxy-2-hexadecanoyloxy-propyl] hexadecanoate |
Molecular Mass | 1050.972 g·mol−1 |
Heat of Formation | -5917.1 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.90 ± 1.08 D |
Volume | 1250.49 Å 3 |
Surface Area | 1041.78 Å 2 |
HOMO Energy | -9.63 ± 0.55 eV |
LUMO Energy | -0.53 ± eV |
Point Group Symmetry | C1 |
InChIKey | ZSZXYWFCIKKZBT-XMZWCAJNSA-N |
QR Code | Generate QR Code |
Links | ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | P C O H |