(2S,3S,4R,5S)-2-[(3R,4S,5R,6R)-4,5,6-trihydroxyoxan-3-yl]oxyoxane-3,4,5-triol
PubChem CID: 162918550
Connections displayed (default: 10).
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| Topological Polar Surface Area | 149.0 |
|---|---|
| Hydrogen Bond Donor Count | 6.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 301.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 8.0 |
| Iupac Name | (2S,3S,4R,5S)-2-[(3R,4S,5R,6R)-4,5,6-trihydroxyoxan-3-yl]oxyoxane-3,4,5-triol |
| Prediction Hob | 0.0 |
| Xlogp | -4.0 |
| Molecular Formula | C10H18O9 |
| Prediction Swissadme | 0.0 |
| Inchi Key | LGQKSQQRKHFMLI-FAVVPCEOSA-N |
| Fcsp3 | 1.0 |
| Logs | -0.269 |
| Rotatable Bond Count | 2.0 |
| Logd | -2.379 |
| Compound Name | (2S,3S,4R,5S)-2-[(3R,4S,5R,6R)-4,5,6-trihydroxyoxan-3-yl]oxyoxane-3,4,5-triol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 282.095 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 282.095 |
| Hydrogen Bond Acceptor Count | 9.0 |
| Molecular Weight | 282.24 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 8.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 1.093581 |
| Inchi | InChI=1S/C10H18O9/c11-3-1-18-10(8(15)5(3)12)19-4-2-17-9(16)7(14)6(4)13/h3-16H,1-2H2/t3-,4+,5+,6+,7+,8-,9+,10-/m0/s1 |
| Smiles | C1[C@@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2CO[C@H]([C@@H]([C@@H]2O)O)O)O)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Piper Longum (Plant) Rel Props:Source_db:cmaup_ingredients