6-Acetylmorphine-D3
PubChem CID: 46780039
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 6-ACETYLMORPHINE-D3, 136765-25-8, 6-Acetyl Morphine-d3, [(4R,4aR,7S,7aR,12bS)-9-hydroxy-3-(trideuteriomethyl)-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] acetate, 6-Acetyl Morphine-d3 (1mg/ml in Acetonitrile), 6-Acetyl Morphine-d3 (100 ug/mL in Acetonitrile), 6-Acetylmorphine-D3, Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-(methyl-d3)-, 6-acetate, (5a,6a)-, 6-Acetylmorphine-N-d3, 6-O-Acetylmorphine-17-(methyl-d3), N-(methyl-d3)-Morphine 6-acetate, DTXSID601016161, 6-Acetylmorphine-D3 0.1 mg/ml in Acetonitrile, 6-Acetylmorphine-D3 1.0 mg/ml in Acetonitrile |
|---|---|
| Topological Polar Surface Area | 59.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 3.0 |
| Molecular Complexity | 592.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 5.0 |
| Iupac Name | [(4R,4aR,7S,7aR,12bS)-9-hydroxy-3-(trideuteriomethyl)-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] acetate |
| Prediction Hob | 1.0 |
| Xlogp | 1.3 |
| Molecular Formula | C19H21NO4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | JJGYGPZNTOPXGV-VALGNVEGSA-N |
| Fcsp3 | 0.5263157894736842 |
| Logs | -3.936 |
| Rotatable Bond Count | 2.0 |
| Logd | 1.177 |
| Compound Name | 6-Acetylmorphine-D3 |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 330.166 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 330.166 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 330.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.8519694930707997 |
| Inchi | InChI=1S/C19H21NO4/c1-10(21)23-15-6-4-12-13-9-11-3-5-14(22)17-16(11)19(12,18(15)24-17)7-8-20(13)2/h3-6,12-13,15,18,22H,7-9H2,1-2H3/t12-,13+,15-,18-,19-/m0/s1/i2D3 |
| Smiles | [2H]C([2H])([2H])N1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3[C@H](C=C4)OC(=O)C |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Papaver Somniferum (Plant) Rel Props:Source_db:cmaup_ingredients