6-Deoxy-3-o-methylglucose
PubChem CID: 193394
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| Compound Synonyms | 6-deoxy-3-o-methylglucose, Thevetose, Thevetose, D-, Thevetose [MI], Thevetose D-form [MI], D-Glucose, 6-deoxy-3-O-methyl-, 4598-54-3, E14ALQ277K, (2R,3S,4R,5R)-2,4,5-trihydroxy-3-methoxyhexanal, 5675-98-9, UNII-E14ALQ277K, 3-o-methylquinovose, 6-Deoxy-3-O-methylmannose, SCHEMBL7154726, MPQBLCRFUYGBHE-XZBKPIIZSA-N |
|---|---|
| Topological Polar Surface Area | 87.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 138.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (2R,3S,4R,5R)-2,4,5-trihydroxy-3-methoxyhexanal |
| Prediction Hob | 1.0 |
| Xlogp | -1.8 |
| Molecular Formula | C7H14O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | MPQBLCRFUYGBHE-XZBKPIIZSA-N |
| Fcsp3 | 0.8571428571428571 |
| Logs | 0.23 |
| Rotatable Bond Count | 5.0 |
| Logd | -1.833 |
| Compound Name | 6-Deoxy-3-o-methylglucose |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 178.084 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 178.084 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 178.18 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 0.5444592000000001 |
| Inchi | InChI=1S/C7H14O5/c1-4(9)6(11)7(12-2)5(10)3-8/h3-7,9-11H,1-2H3/t4-,5+,6-,7-/m1/s1 |
| Smiles | C[C@H]([C@H]([C@@H]([C@H](C=O)O)OC)O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Marsdenia Tenacissima (Plant) Rel Props:Source_db:cmaup_ingredients