(2S,3R,5R,6S)-2,6-dimethoxyoxane-3,4,5-triol
PubChem CID: 5319657
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| Topological Polar Surface Area | 88.4 |
|---|---|
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 147.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (2S,3R,5R,6S)-2,6-dimethoxyoxane-3,4,5-triol |
| Prediction Hob | 1.0 |
| Xlogp | -2.0 |
| Molecular Formula | C7H14O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GNBDJKZVRKEPFC-JWXFUTCRSA-N |
| Fcsp3 | 1.0 |
| Logs | 0.107 |
| Rotatable Bond Count | 2.0 |
| Logd | -1.508 |
| Compound Name | (2S,3R,5R,6S)-2,6-dimethoxyoxane-3,4,5-triol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 194.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 194.079 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 194.18 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 0.32916540000000005 |
| Inchi | InChI=1S/C7H14O6/c1-11-6-4(9)3(8)5(10)7(12-2)13-6/h3-10H,1-2H3/t4-,5-,6+,7+/m1/s1 |
| Smiles | CO[C@@H]1[C@@H](C([C@H]([C@H](O1)OC)O)O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Codium Fragile (Plant) Rel Props:Source_db:cmaup_ingredients