[[(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

Molecule SVG Image

Properties Simple | Detailed

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
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C H O N P S