N-[(1R,3R,4S,5R,6S)-1,4,5-trihydroxy-3-(hydroxymethyl)-2-oxa-7-azabicyclo[4.1.0]heptan-6-yl]acetamide
PubChem CID: 56955950
Connections displayed (default: 10).
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| Topological Polar Surface Area | 141.0 |
|---|---|
| Hydrogen Bond Donor Count | 6.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 326.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 5.0 |
| Iupac Name | N-[(1R,3R,4S,5R,6S)-1,4,5-trihydroxy-3-(hydroxymethyl)-2-oxa-7-azabicyclo[4.1.0]heptan-6-yl]acetamide |
| Prediction Hob | 0.0 |
| Xlogp | -3.4 |
| Molecular Formula | C8H14N2O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CFHQIDNEXLQJPR-QQGCVABSSA-N |
| Fcsp3 | 0.875 |
| Logs | -0.814 |
| Rotatable Bond Count | 2.0 |
| Logd | -0.774 |
| Compound Name | N-[(1R,3R,4S,5R,6S)-1,4,5-trihydroxy-3-(hydroxymethyl)-2-oxa-7-azabicyclo[4.1.0]heptan-6-yl]acetamide |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 234.085 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 234.085 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 234.21 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 0.7803104000000002 |
| Inchi | InChI=1S/C8H14N2O6/c1-3(12)9-7-6(14)5(13)4(2-11)16-8(7,15)10-7/h4-6,10-11,13-15H,2H2,1H3,(H,9,12)/t4-,5-,6+,7+,8-/m1/s1 |
| Smiles | CC(=O)N[C@]12[C@H]([C@@H]([C@H](O[C@]1(N2)O)CO)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cannabis Sativa (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Polygala Tenuifolia (Plant) Rel Props:Source_db:cmaup_ingredients