(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(2-methylpropoxy)oxane-3,4,5-triol
PubChem CID: 15385692
Connections displayed (default: 10).
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| Topological Polar Surface Area | 99.4 |
|---|---|
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 209.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 5.0 |
| Iupac Name | (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(2-methylpropoxy)oxane-3,4,5-triol |
| Prediction Hob | 1.0 |
| Xlogp | -0.9 |
| Molecular Formula | C10H20O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | MJQQYLKJAGVSNG-HOTMZDKISA-N |
| Fcsp3 | 1.0 |
| Logs | -0.375 |
| Rotatable Bond Count | 4.0 |
| Logd | -0.876 |
| Compound Name | (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(2-methylpropoxy)oxane-3,4,5-triol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 236.126 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 236.126 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 236.26 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.20923679999999978 |
| Inchi | InChI=1S/C10H20O6/c1-5(2)4-15-10-9(14)8(13)7(12)6(3-11)16-10/h5-14H,3-4H2,1-2H3/t6-,7-,8+,9-,10-/m1/s1 |
| Smiles | CC(C)CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Glehnia Littoralis (Plant) Rel Props:Source_db:cmaup_ingredients