(1S)-1-(7-Amino-2H-Pyrazolo[4,3-D]Pyrimidin-3-Yl)-1,4-Anhydro-5-S-Methyl-5-Thio-D-Ribitol

Molecule SVG Image

Properties Simple | Detailed

Formula C11H15N5O3S
IUPAC Name (2r,3s,4s,5s)-2-(7-aminopyrazolo[4,3-d]pyrimidin-2-ium-3-yl)-5-(methylsulfanylmethyl)tetrahydrofuran-3,4-diol
Molecular Mass 297.334 g·mol−1
Heat of Formation -242.7 ± 16.7 kJ·mol−1
Dipole Moment 3.25 ± 1.08 D
Volume 327.82 Å 3
Surface Area 293.29 Å 2
HOMO Energy -8.30 ± 0.55 eV
LUMO Energy -1.31 ± eV
Point Group Symmetry C1
InChIKey MKHSXTZLSSHHQZ-KSARGPATSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C O N