(3As,4S,6Ar)-4-[5-[1-[[(3Ar,4R,6R,6Ar)-4-(6-Aminopurin-9-Ium-5-Ylium-3,6-Diid-9-Yl)-2,2-Dimethyl-3A,4,6,6A-Tetrahydrofuro[3,4-D][1,3]Dioxol-6-Yl]Methyl]-Blahcyclopenta-2,4-Dien-4-Yl]Pentyl]-1,3,3A,4,6,6A-Hexahydrothieno[3,4-D]Imidazol-2-One

Molecule SVG Image

Properties Simple | Detailed

Formula C25H36N10O4S
IUPAC Name (3as,4s,6ar)-4-[5-[1-[[(3ar,4r,6r,6ar)-4-(6-aminopurin-9-ium-5-ylium-3,6-diid-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl]-blahcyclopenta-2,4-dien-4-yl]pentyl]-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-2-one
Molecular Mass 572.683 g·mol−1
Heat of Formation -259.0 ± 16.7 kJ·mol−1
Dipole Moment 3.46 ± 1.08 D
Volume 652.12 Å 3
Surface Area 551.79 Å 2
HOMO Energy -8.93 ± 0.55 eV
LUMO Energy 2.55 ± eV
Point Group Symmetry C1
InChIKey IHHSSDVCRLKPDJ-SGEVEQOLSA-O
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C S O N