6-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1,3-dimethyl-5-(3-nitrophenyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
Chemical Structure Depiction of
6-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1,3-dimethyl-5-(3-nitrophenyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
6-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1,3-dimethyl-5-(3-nitrophenyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
Compound characteristics
| Compound ID: | D077-0383 |
| Compound Name: | 6-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1,3-dimethyl-5-(3-nitrophenyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione |
| Molecular Weight: | 404.38 |
| Molecular Formula: | C18 H20 N4 O7 |
| Smiles: | CN1C(c2c(cn(c2c2cccc(c2)[N+]([O-])=O)C(CO)(CO)CO)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.2605 |
| logD: | 0.2605 |
| logSw: | -1.6132 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 117.235 |
| InChI Key: | NQPAHRVAXNYRFQ-UHFFFAOYSA-N |