(2S,3S,4S,5S,6R)-3-amino-6-methyloxane-2,4,5-triol
PubChem CID: 162943546
Connections displayed (default: 10).
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| Prediction Swissadme | 0.0 |
|---|---|
| Topological Polar Surface Area | 95.9 |
| Hydrogen Bond Donor Count | 4.0 |
| Inchi Key | TVTGZVYLUHVBAJ-RDQKPOQOSA-N |
| Fcsp3 | 1.0 |
| Rotatable Bond Count | 0.0 |
| Heavy Atom Count | 11.0 |
| Compound Name | (2S,3S,4S,5S,6R)-3-amino-6-methyloxane-2,4,5-triol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 163.084 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 163.084 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 143.0 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 163.17 |
| Database Name | cmaup_ingredients;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 5.0 |
| Iupac Name | (2S,3S,4S,5S,6R)-3-amino-6-methyloxane-2,4,5-triol |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Prediction Hob | 1.0 |
| Esol | 0.6288274 |
| Inchi | InChI=1S/C6H13NO4/c1-2-4(8)5(9)3(7)6(10)11-2/h2-6,8-10H,7H2,1H3/t2-,3+,4-,5+,6+/m1/s1 |
| Smiles | C[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)N)O)O |
| Xlogp | -2.3 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C6H13NO4 |
- 1. Outgoing r'ship
FOUND_INto/from Piper Wallichii (Plant) Rel Props:Source_db:cmaup_ingredients