(2S,4S,5S,6R)-4-amino-4,6-dimethyloxane-2,5-diol
PubChem CID: 162872259
Connections displayed (default: 10).
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| Topological Polar Surface Area | 75.7 |
|---|---|
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 153.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (2S,4S,5S,6R)-4-amino-4,6-dimethyloxane-2,5-diol |
| Prediction Hob | 1.0 |
| Xlogp | -1.2 |
| Molecular Formula | C7H15NO3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OIJZDPGKNVKVBL-UCROKIRRSA-N |
| Fcsp3 | 1.0 |
| Logs | 0.723 |
| Rotatable Bond Count | 0.0 |
| Logd | -1.223 |
| Compound Name | (2S,4S,5S,6R)-4-amino-4,6-dimethyloxane-2,5-diol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 161.105 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 161.105 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 161.2 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.0897462 |
| Inchi | InChI=1S/C7H15NO3/c1-4-6(10)7(2,8)3-5(9)11-4/h4-6,9-10H,3,8H2,1-2H3/t4-,5+,6-,7+/m1/s1 |
| Smiles | C[C@@H]1[C@H]([C@@](C[C@H](O1)O)(C)N)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Carpesium Abrotanoides (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Phyllanthus Reticulatus (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Simmondsia Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients