D-Glucopyranose, monohydrate
PubChem CID: 5282499
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | D-Glucopyranose, monohydrate (9CI), 77029-61-9, (3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol, hydrate, D-Glucopyranose, monohydrate, UNII-9G5L16BK6N, EINECS 232-436-4, alpha-D-glucose, monohydrate, 9G5L16BK6N, SCHEMBL3364163 |
|---|---|
| Topological Polar Surface Area | 111.0 |
| Hydrogen Bond Donor Count | 6.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 151.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol, hydrate |
| Prediction Hob | 0.0 |
| Molecular Formula | C6H14O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OSNSWKAZFASRNG-BMZZJELJSA-N |
| Fcsp3 | 1.0 |
| Logs | -0.033 |
| Rotatable Bond Count | 1.0 |
| Logd | -2.39 |
| Compound Name | D-Glucopyranose, monohydrate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 198.074 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 198.074 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 198.17 |
| Covalent Unit Count | 2.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 1.3346398000000002 |
| Inchi | InChI=1S/C6H12O6.H2O/c7-1-2-3(8)4(9)5(10)6(11)12-2, /h2-11H,1H2, 1H2/t2-,3-,4+,5-,6?, /m1./s1 |
| Smiles | C([C@@H]1[C@H]([C@@H]([C@H](C(O1)O)O)O)O)O.O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Triticum Aestivum (Plant) Rel Props:Source_db:cmaup_ingredients