(3R,4R,5R)-2-[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxyperoxy-5-(hydroxymethyl)oxolane-3,4-diol
PubChem CID: 91884769
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| Topological Polar Surface Area | 168.0 |
|---|---|
| Hydrogen Bond Donor Count | 6.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 298.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 6.0 |
| Iupac Name | (3R,4R,5R)-2-[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxyperoxy-5-(hydroxymethyl)oxolane-3,4-diol |
| Prediction Hob | 0.0 |
| Xlogp | -2.9 |
| Molecular Formula | C10H18O11 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ODDRJEWIOFPAOL-GZNHDWAXSA-N |
| Fcsp3 | 1.0 |
| Logs | -0.656 |
| Rotatable Bond Count | 6.0 |
| Logd | -2.665 |
| Compound Name | (3R,4R,5R)-2-[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxyperoxy-5-(hydroxymethyl)oxolane-3,4-diol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 314.085 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 314.085 |
| Hydrogen Bond Acceptor Count | 11.0 |
| Molecular Weight | 314.24 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 8.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 0.40319340000000004 |
| Inchi | InChI=1S/C10H18O11/c11-1-3-5(13)7(15)9(17-3)19-21-20-10-8(16)6(14)4(2-12)18-10/h3-16H,1-2H2/t3-,4-,5+,6+,7-,8-,9?,10?/m1/s1 |
| Smiles | C([C@@H]1[C@@H]([C@H](C(O1)OOOC2[C@@H]([C@H]([C@H](O2)CO)O)O)O)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Scutellaria Baicalensis (Plant) Rel Props:Source_db:cmaup_ingredients