6-O-Methyl-alpha-D-galactopyranose
PubChem CID: 44269524
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| Compound Synonyms | 6-O-Methyl-alpha-D-galactopyranose, P8XHX4S004, 31505-26-7, EINECS 250-664-2, UNII-P8XHX4S004, DTXSID20185404, 6-O-METHYL-.ALPHA.-D-GALACTOPYRANOSE, .ALPHA.-D-GALACTOPYRANOSE, 6-O-METHYL-, CHEMBL14117, DTXCID90107895, AKOS006287359, NS00029117, ALPHA-D-GALACTOPYRANOSE, 6-O-METHYL-, 250-664-2 |
|---|---|
| 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;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 5.0 |
| Iupac Name | (2S,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-PZRMXXKTSA-N |
| Fcsp3 | 1.0 |
| Logs | -0.011 |
| Rotatable Bond Count | 2.0 |
| Logd | -1.949 |
| Compound Name | 6-O-Methyl-alpha-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 Mosla Punctata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Psidium Guajava (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all