[(2R,3S,4R,5S)-3,4-Dihydroxy-5-(6-Thioxo-7H-Purine-1,9-Diium-5-Id-3-Yl)Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate

Molecule SVG Image

Properties Simple | Detailed

Formula C10H14N4O7PS
IUPAC Name [(2r,3s,4r,5s)-3,4-dihydroxy-5-(6-thioxo-7h-purine-1,9-diium-5-id-3-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 365.280 g·mol−1
Heat of Formation -1218.7 ± 16.7 kJ·mol−1
Dipole Moment 7.78 ± 1.08 D
Volume 361.81 Å 3
Surface Area 323.58 Å 2
HOMO Energy -8.40 ± 0.55 eV
LUMO Energy 1.58 ± eV
Point Group Symmetry C1
InChIKey KVLRBJJNOUXRAV-MFRNZYAPSA-O
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C H O N P S