Tuberculosinyl Diphosphate
Properties
Property | Value |
---|---|
Formula | C20H36O7P2 |
IUPAC Name | [(e)-5-[(1r,2s,8as)-1,2,5,5-tetramethyl-2,3,6,7,8,8a-hexahydronaphthalen-1-yl]-3-methyl-pent-2-enyl] phosphono hydrogen phosphate |
Molecular Mass | 450.443 g·mol−1 |
Heat of Formation | -2066.4 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.43 ± 1.08 D |
Volume | 540.7 Å 3 |
Surface Area | 428.99 Å 2 |
HOMO Energy | -9.16 ± 0.55 eV |
LUMO Energy | 1.93 ± eV |
Point Group Symmetry | C1 |
InChIKey | BPSHPRCHMGHBGC-AHKHSGQUSA-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 |