beta-D-Oleandropyranose
PubChem CID: 12312896
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| Compound Synonyms | FPV1QL3IUQ, UNII-FPV1QL3IUQ, beta- D-Oleandropyranose, 99436-74-5, beta- D-Oleandrose pyranose, beta-D-Arabino-hexopyranose, 2,6-dideoxy-3-O-methyl-, .BETA.-D-ARABINO-HEXOPYRANOSE, 2,6-DIDEOXY-3-O-METHYL-, beta-D-Oleandropyranose, .BETA.-D-OLEANDROPYRANOSE, BETA-D-OLEANDROSE PYRANOSE, .BETA.- D-OLEANDROPYRANOSE, .BETA.-D-OLEANDROSE PYRANOSE, .BETA.- D-OLEANDROSE PYRANOSE, (2R,4R,5R,6R)-4-Methoxy-6-methyltetrahydro-2H-pyran-2,5-diol |
|---|---|
| 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,4R,5R,6R)-4-methoxy-6-methyloxane-2,5-diol |
| Prediction Hob | 1.0 |
| Xlogp | -0.6 |
| Molecular Formula | C7H14O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DBDJCJKVEBFXHG-DBRKOABJSA-N |
| Fcsp3 | 1.0 |
| Logs | -0.32 |
| Rotatable Bond Count | 1.0 |
| Logd | -0.899 |
| Compound Name | beta-D-Oleandropyranose |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 162.089 |
| Formal Charge | 0.0 |
| 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 | -0.414147 |
| Inchi | InChI=1S/C7H14O4/c1-4-7(9)5(10-2)3-6(8)11-4/h4-9H,3H2,1-2H3/t4-,5-,6-,7-/m1/s1 |
| Smiles | C[C@@H]1[C@H]([C@@H](C[C@@H](O1)O)OC)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Marsdenia Tenacissima (Plant) Rel Props:Source_db:cmaup_ingredients