Petalosa
PubChem CID: 11529514
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| Compound Synonyms | Petalosa, (2R,3S,4S,4aR,6S,7R,8R,8aS)-2,6-bis(hydroxymethyl)-2,3,4,6,7,8-hexahydropyrano[3,2-b]pyran-3,4,4a,7,8,8a-hexol, (2R,3S,4S,4aR,6S,7R,8R,8aS)-2,6-bis(hydroxymethyl)-2,3,4,6,7,8-hexahydropyrano(3,2-b)pyran-3,4,4a,7,8,8a-hexol |
|---|---|
| Topological Polar Surface Area | 180.0 |
| Hydrogen Bond Donor Count | 8.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 332.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 8.0 |
| Iupac Name | (2R,3S,4S,4aR,6S,7R,8R,8aS)-2,6-bis(hydroxymethyl)-2,3,4,6,7,8-hexahydropyrano[3,2-b]pyran-3,4,4a,7,8,8a-hexol |
| Prediction Hob | 0.0 |
| Xlogp | -4.5 |
| Molecular Formula | C10H18O10 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HFTMYDMVCZRBCQ-YJEJVTBQSA-N |
| Fcsp3 | 1.0 |
| Logs | -0.687 |
| Rotatable Bond Count | 2.0 |
| Logd | -2.099 |
| Compound Name | Petalosa |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 298.09 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 298.09 |
| Hydrogen Bond Acceptor Count | 10.0 |
| Molecular Weight | 298.24 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 8.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 1.2967872000000007 |
| Inchi | InChI=1S/C10H18O10/c11-1-3-5(13)7(15)10(18)9(17,19-3)8(16)6(14)4(2-12)20-10/h3-8,11-18H,1-2H2/t3-,4+,5-,6+,7+,8-,9+,10- |
| Smiles | C([C@@H]1[C@H]([C@@H]([C@@]2([C@@](O1)([C@@H]([C@H]([C@@H](O2)CO)O)O)O)O)O)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Psacalium Peltatum (Plant) Rel Props:Source_db:cmaup_ingredients