(2R)-3-{[(S)-Hydroxy{[(1R,2R,3S,4R,5R,6S)-2,3,6-Trihydroxy-4,5-Bis(Phosphonooxy)Cyclohexyl]Oxy}Phosphoryl]Oxy}-1,2-Propanediyl Dibutanoate
Properties
Property | Value |
---|---|
Formula | C17H33O19P3 |
IUPAC Name | [(2r)-2-butanoyloxy-3-[hydroxy-[(1s,2r,3r,4s,5s,6s)-2,3,6-trihydroxy-4,5-diphosphonooxy-cyclohexoxy]phosphoryl]oxy-propyl] butanoate |
Molecular Mass | 634.354 g·mol−1 |
Heat of Formation | -4529.7 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.28 ± 1.08 D |
Volume | 660.71 Å 3 |
Surface Area | 554.16 Å 2 |
HOMO Energy | -9.85 ± 0.55 eV |
LUMO Energy | -0.86 ± eV |
Point Group Symmetry | C1 |
InChIKey | DHAFWWKSHUBGAH-DXOPXGNRSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | P C O H |