[[(Z,2R)-4-[(6R)-2-Amino-4-Oxo-5,6-Dihydro-3H-Pteridine-1,8-Diium-4A-Id-6-Yl]-2-Hydroxy-3,4-Bis(Sulfanyl)But-3-Enoxy]-Hydroxy-Phosphoryl] [(2R,3S,4R,5R)-5-(2-Amino-6-Oxo-1H-Purine-3,7-Diium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Hydrogen Phosphate
Properties
Property | Value |
---|---|
Formula | C20H30N10O13P2S2+ |
IUPAC Name | [[(z,2r)-4-[(6r)-2-amino-4-oxo-5,6-dihydro-3h-pteridine-1,8-diium-4a-id-6-yl]-2-hydroxy-3,4-bis(sulfanyl)but-3-enoxy]-hydroxy-phosphoryl] [(2r,3s,4r,5r)-5-(2-amino-6-oxo-1h-purine-3,7-diium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate |
Molecular Mass | 744.589 g·mol−1 |
Heat of Formation | -2400.6 ± 16.7 kJ·mol−1 |
Dipole Moment | 2.88 ± 1.08 D |
Volume | 735.84 Å 3 |
Surface Area | 541.55 Å 2 |
HOMO Energy | -8.41 ± 0.55 eV |
LUMO Energy | -1.27 ± eV |
Point Group Symmetry | C1 |
InChIKey | NVPQQJMBNDBQTA-XHEYTWMPSA-Q |
QR Code | Generate QR Code |
Links | |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | C H O N P S |