(2S,3S,4S,5R,6R)-6-[(2R,3S,4S,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-2,3,4,5-tetrol
PubChem CID: 22524649
Connections displayed (default: 10).
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| Topological Polar Surface Area | 190.0 |
|---|---|
| Hydrogen Bond Donor Count | 8.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 368.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 10.0 |
| Iupac Name | (2S,3S,4S,5R,6R)-6-[(2R,3S,4S,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-2,3,4,5-tetrol |
| Prediction Hob | 0.0 |
| Xlogp | -5.2 |
| Molecular Formula | C11H20O11 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZLSHPOOYAKKJSB-QAONBWQOSA-N |
| Fcsp3 | 1.0 |
| Logs | -0.141 |
| Rotatable Bond Count | 3.0 |
| Logd | -3.085 |
| Compound Name | (2S,3S,4S,5R,6R)-6-[(2R,3S,4S,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-2,3,4,5-tetrol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 328.101 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 328.101 |
| Hydrogen Bond Acceptor Count | 11.0 |
| Molecular Weight | 328.27 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 10.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 0.8553259999999998 |
| Inchi | InChI=1S/C11H20O11/c12-1-2-8(4(14)6(16)9(18)20-2)21-11-7(17)3(13)5(15)10(19)22-11/h2-19H,1H2/t2-,3+,4+,5+,6-,7-,8-,9-,10+,11-/m1/s1 |
| Smiles | C([C@@H]1[C@H]([C@H]([C@H]([C@@H](O1)O)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)O)O)O)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Apium Graveolens (Plant) Rel Props:Source_db:cmaup_ingredients