3-[7-(2,3-dihydroxypropyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl]propyl 3,4,5-trimethoxybenzoate--hydrogen chloride (1/1)
Chemical Structure Depiction of
3-[7-(2,3-dihydroxypropyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl]propyl 3,4,5-trimethoxybenzoate--hydrogen chloride (1/1)
3-[7-(2,3-dihydroxypropyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl]propyl 3,4,5-trimethoxybenzoate--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D090-0119 |
| Compound Name: | 3-[7-(2,3-dihydroxypropyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl]propyl 3,4,5-trimethoxybenzoate--hydrogen chloride (1/1) |
| Molecular Weight: | 528.95 |
| Molecular Formula: | C22 H28 N4 O9 |
| Salt: | HCl |
| Smiles: | CN1C(N(CCCOC(c2cc(c(c(c2)OC)OC)OC)=O)C(c2c1ncn2CC(CO)O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.1381 |
| logD: | 0.1381 |
| logSw: | -1.2387 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 120.934 |
| InChI Key: | ONTQMSWAESLKGY-AWEZNQCLSA-N |