(1R,4S,5S,6S,8S,9R)-5,8-dihydroxy-6-methyl-13-azatetracyclo[7.7.0.01,13.04,9]hexadecan-2-one
PubChem CID: 11471487
Connections displayed (default: 10).
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| Topological Polar Surface Area | 60.8 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 453.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 6.0 |
| Iupac Name | (1R,4S,5S,6S,8S,9R)-5,8-dihydroxy-6-methyl-13-azatetracyclo[7.7.0.01,13.04,9]hexadecan-2-one |
| Prediction Hob | 0.0 |
| Xlogp | 0.7 |
| Molecular Formula | C16H25NO3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XPIVPCYGYLMOCY-SSGSENKNSA-N |
| Fcsp3 | 0.9375 |
| Logs | -2.454 |
| Rotatable Bond Count | 0.0 |
| Logd | 0.75 |
| Compound Name | (1R,4S,5S,6S,8S,9R)-5,8-dihydroxy-6-methyl-13-azatetracyclo[7.7.0.01,13.04,9]hexadecan-2-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 279.183 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 279.183 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 279.37 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 6.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.0194559999999995 |
| Inchi | InChI=1S/C16H25NO3/c1-10-8-12(18)15-4-2-6-17-7-3-5-16(15,17)13(19)9-11(15)14(10)20/h10-12,14,18,20H,2-9H2,1H3/t10-,11+,12-,14-,15-,16-/m0/s1 |
| Smiles | C[C@H]1C[C@@H]([C@@]23CCCN4[C@@]2(CCC4)C(=O)C[C@@H]3[C@H]1O)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Huperzia Serrata (Plant) Rel Props:Source_db:cmaup_ingredients