{[(3-methyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)methyl]sulfanyl}acetic acid
Chemical Structure Depiction of
{[(3-methyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)methyl]sulfanyl}acetic acid
{[(3-methyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)methyl]sulfanyl}acetic acid
Compound characteristics
| Compound ID: | Y043-8228 |
| Compound Name: | {[(3-methyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)methyl]sulfanyl}acetic acid |
| Molecular Weight: | 270.26 |
| Molecular Formula: | C9 H10 N4 O4 S |
| Smiles: | CN1C(NC(c2c1[nH]c(CSCC(O)=O)n2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.3084 |
| logD: | -3.8537 |
| logSw: | -1.5729 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 91.363 |
| InChI Key: | ZMBOBBNMMWPIEU-UHFFFAOYSA-N |