(2S)-3-{[{[(1S,2S,3R,4S,5S,6S)-2,6-Dihydroxy-3,4,5-Tris(Phosphonooxy)Cyclohexyl]Oxy}(Hydroxy)Phosphoryl]Oxy}-2-(1-Hydroxybutoxy)Propyl Butyrate
Properties
Property | Value |
---|---|
Formula | C17H36O22P4 |
IUPAC Name | [3-[(2,6-dihydroxy-3,4,5-triphosphonooxy-cyclohexoxy)-hydroxy-phosphoryl]oxy-2-(1-hydroxybutoxy)propyl] butanoate |
Molecular Mass | 716.350 g·mol−1 |
Heat of Formation | -5491.8 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.11 ± 1.08 D |
Volume | 715.32 Å 3 |
Surface Area | 548.44 Å 2 |
HOMO Energy | -9.64 ± 0.55 eV |
LUMO Energy | -0.42 ± eV |
Point Group Symmetry | C1 |
InChIKey | JPQZDANYJXWKKH-XKUBOQIMSA-N |
QR Code | Generate QR Code |
Links | ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | P C O H |