Monoacetylmorphine
PubChem CID: 520352
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| Compound Synonyms | 6-Monoacetylmorphine, O6 Monoacetylmorphine, Monoacetylmorphine, Morphine 6-acetate, 6-O-Acetylmorphine, Morphinan-3,6-.alpha.-diol, 7,8-didehydro-4,5-.alpha.-epoxy-17-methyl-, 6-acetate, (9-hydroxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl) acetate, a-Monoacetyl-Morphine, SCHEMBL154049, 6-Monoacetylmorphine (6-MAM), JJGYGPZNTOPXGV-UHFFFAOYSA-N, CGA47790, PD044556, 7,8-Didehydro-4,5.alpha.-epoxy-17-methylmorphinan-3,6.alpha.-diol 6-acetate, Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl-, (5.alpha.,6.alpha.)-, 6-acetate |
|---|---|
| Topological Polar Surface Area | 59.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 592.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (9-hydroxy-3-methyl-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-UHFFFAOYSA-N |
| Fcsp3 | 0.5263157894736842 |
| Logs | 0.096 |
| Rotatable Bond Count | 2.0 |
| Logd | -0.119 |
| Compound Name | Monoacetylmorphine |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 327.147 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 327.147 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 327.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.899256 |
| 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 |
| Smiles | CC(=O)OC1C=CC2C3CC4=C5C2(C1OC5=C(C=C4)O)CCN3C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Papaver Somniferum (Plant) Rel Props:Source_db:cmaup_ingredients