(2R,3S,5S,6S)-3-methoxy-6-methyloxane-2,5-diol
PubChem CID: 130907058
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| Topological Polar Surface Area | 58.9 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 128.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (2R,3S,5S,6S)-3-methoxy-6-methyloxane-2,5-diol |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | -0.6 |
| Is Pains | False |
| Molecular Formula | C7H14O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YXOVWOKTOWFVSU-ZTYPAOSTSA-N |
| Fcsp3 | 1.0 |
| Rotatable Bond Count | 1.0 |
| Compound Name | (2R,3S,5S,6S)-3-methoxy-6-methyloxane-2,5-diol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 162.089 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 162.089 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 162.18 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.41414699999999977 |
| Inchi | InChI=1S/C7H14O4/c1-4-5(8)3-6(10-2)7(9)11-4/h4-9H,3H2,1-2H3/t4-,5-,6-,7+/m0/s1 |
| Smiles | C[C@H]1[C@H](C[C@@H]([C@@H](O1)O)OC)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aconitum Bullatifolium (Plant) Rel Props:Source_db:cmaup_ingredients