(2R,3S,4R,5R,6S)-6-[(1S)-1,2-dihydroxyethyl]-2-(hydroxymethyl)oxane-2,3,4,5-tetrol
PubChem CID: 162944507
Connections displayed (default: 10).
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| Topological Polar Surface Area | 151.0 |
|---|---|
| Hydrogen Bond Donor Count | 7.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 236.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 6.0 |
| Iupac Name | (2R,3S,4R,5R,6S)-6-[(1S)-1,2-dihydroxyethyl]-2-(hydroxymethyl)oxane-2,3,4,5-tetrol |
| Prediction Hob | 0.0 |
| Xlogp | -3.5 |
| Molecular Formula | C8H16O8 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HYWDXGGHANXDIV-DTULTOMQSA-N |
| Fcsp3 | 1.0 |
| Logs | -0.233 |
| Rotatable Bond Count | 3.0 |
| Logd | -2.204 |
| Compound Name | (2R,3S,4R,5R,6S)-6-[(1S)-1,2-dihydroxyethyl]-2-(hydroxymethyl)oxane-2,3,4,5-tetrol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 240.085 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 240.085 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 240.21 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 6.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 1.0863104000000001 |
| Inchi | InChI=1S/C8H16O8/c9-1-3(11)6-4(12)5(13)7(14)8(15,2-10)16-6/h3-7,9-15H,1-2H2/t3-,4+,5+,6-,7-,8+/m0/s1 |
| Smiles | C([C@@H]([C@H]1[C@@H]([C@H]([C@@H]([C@](O1)(CO)O)O)O)O)O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aloe Microstigma (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Chrozophora Prostrata (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Papaver Somniferum (Plant) Rel Props:Source_db:cmaup_ingredients