1-Deoxy-1-[(4Ar)-4A-[(2Z)-2-(2-{[Hydroxy(Phosphonooxy)Phosphoryl]Oxy}Ethyl)-2-Buten-1-Yl]-7,8-Dimethyl-2,4-Dioxo-3,4,4A,5-Tetrahydrobenzo[G]Pteridin-10(2H)-Yl]-5-O-Phosphono-D-Ribitol
Properties
Property | Value |
---|---|
Formula | C23H35N4O16P3 |
IUPAC Name | [(z)-3-[[(4ar)-7,8-dimethyl-2,4-dioxo-10-[(2s,3s,4r)-2,3,4-trihydroxy-5-phosphonooxy-pentyl]-5h-benzo[g]pteridin-4a-yl]methyl]pent-3-enyl] phosphono hydrogen phosphate |
Molecular Mass | 716.462 g·mol−1 |
Heat of Formation | -3772.4 ± 16.7 kJ·mol−1 |
Dipole Moment | 10.76 ± 1.08 D |
Volume | 750.01 Å 3 |
Surface Area | 579.15 Å 2 |
HOMO Energy | -8.85 ± 0.55 eV |
LUMO Energy | -1.38 ± eV |
Point Group Symmetry | C1 |
InChIKey | OAOWJIIZSRFUAL-QCJQWHCGSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | P C H O N |