6-O-Methyl-beta-D-galactopyranose
PubChem CID: 51548332
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| Compound Synonyms | 6-O-Methyl-beta-D-galactopyranose, WA4R767TO2, UNII-WA4R767TO2, beta-D-Galactopyranose, 6-O-methyl-, 31505-27-8, 6-O-METHYL-.BETA.-D-GALACTOPYRANOSE, .BETA.-D-GALACTOPYRANOSE, 6-O-METHYL-, EMZ |
|---|---|
| Topological Polar Surface Area | 99.4 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 163.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 5.0 |
| Iupac Name | (2R,3R,4S,5R,6R)-6-(methoxymethyl)oxane-2,3,4,5-tetrol |
| Prediction Hob | 1.0 |
| Xlogp | -2.6 |
| Molecular Formula | C7H14O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | QWJKEQVWXSYDJA-VOQCIKJUSA-N |
| Fcsp3 | 1.0 |
| Logs | -0.125 |
| Rotatable Bond Count | 2.0 |
| Logd | -2.129 |
| Compound Name | 6-O-Methyl-beta-D-galactopyranose |
| 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 | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 1.1355654 |
| Inchi | InChI=1S/C7H14O6/c1-12-2-3-4(8)5(9)6(10)7(11)13-3/h3-11H,2H2,1H3/t3-,4+,5+,6-,7-/m1/s1 |
| Smiles | COC[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aconitum Bullatifolium (Plant) Rel Props:Source_db:cmaup_ingredients