(2S,3S,4R,5S)-2-[(4R)-4-Amino-4,5-Dihydro-3H-Pyrrolo[3,2-D]Pyrimidin-7-Yl]-5-[(Methylsulfanyl)Methyl]-3,4-Pyrrolidinediol
Properties
Property | Value |
---|---|
Formula | C12H19N5O2S |
IUPAC Name | (2s,3s,4r,5s)-2-[(4r)-4-amino-4,6-dihydro-3h-pyrrolo[3,2-d]pyrimidin-5-ium-6-ylium-7-yl]-5-(methylsulfanylmethyl)pyrrolidine-3,4-diol |
Molecular Mass | 297.377 g·mol−1 |
Heat of Formation | -166.2 ± 16.7 kJ·mol−1 |
Dipole Moment | 8.89 ± 1.08 D |
Volume | 342.78 Å 3 |
Surface Area | 296.66 Å 2 |
HOMO Energy | -8.24 ± 0.55 eV |
LUMO Energy | 3.04 ± eV |
Point Group Symmetry | C1 |
InChIKey | YLCQGEBEQIBOOJ-XKBJCNPTSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C S O N |