5'-O-[{[{[(5Ar,6R,7S,8R,9Ar)-2-Amino-4-Oxo-6,7-Disulfanyl-3,5,5A,6,7,8,9A,10-Octahydro-4H-Pyrano[3,2-G]Pteridin-8-Yl]Methoxy}(Hydroxy)Phosphoryl]Oxy}(Hydroxy)Phosphoryl]Guanosine

Molecule SVG Image

Properties Simple | Detailed

Formula C20H28N10O13P2S2
IUPAC Name [4-(2-amino-7-hydroxy-4-oxo-5,8-dihydro-3h-pteridin-1-ium-4a-id-6-yl)-3,3-bis(sulfanyl)butoxy]-oxido-oxo-phosphonium; hydron; 2-(hydroxyamino)-9-prop-2-ynyl-1h-purine-3,7-diium-6-one; [(z)-2-hydroxyvinyloxy]-oxido-oxo-phosphonium; dihydrate
Molecular Mass 742.573 g·mol−1
Heat of Formation 252.0 ± 16.7 kJ·mol−1
Dipole Moment 9.62 ± 1.08 D
Volume 694.02 Å 3
Surface Area 512.58 Å 2
HOMO Energy -8.97 ± 0.55 eV
LUMO Energy -2.58 ± eV
Point Group Symmetry C1
InChIKey YDYCAANTTOPADF-JKOCJXFLSA-N
QR Code Generate QR Code
Links ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements P C S O N