(2R,3R,4R)-3,4-bis[(4-hydroxy-3-methoxyphenyl)methyl]oxolane-2,3-diol
PubChem CID: 162955217
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| Topological Polar Surface Area | 109.0 |
|---|---|
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 475.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (2R,3R,4R)-3,4-bis[(4-hydroxy-3-methoxyphenyl)methyl]oxolane-2,3-diol |
| Prediction Hob | 1.0 |
| Xlogp | 1.9 |
| Molecular Formula | C20H24O7 |
| Prediction Swissadme | 1.0 |
| Inchi Key | LHQJDCXEZZAFKD-JSNMRZPZSA-N |
| Fcsp3 | 0.4 |
| Logs | -4.179 |
| Rotatable Bond Count | 6.0 |
| Logd | 3.357 |
| Compound Name | (2R,3R,4R)-3,4-bis[(4-hydroxy-3-methoxyphenyl)methyl]oxolane-2,3-diol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 376.152 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 376.152 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 376.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.3224998888888893 |
| Inchi | InChI=1S/C20H24O7/c1-25-17-8-12(3-5-15(17)21)7-14-11-27-19(23)20(14,24)10-13-4-6-16(22)18(9-13)26-2/h3-6,8-9,14,19,21-24H,7,10-11H2,1-2H3/t14-,19-,20-/m1/s1 |
| Smiles | COC1=C(C=CC(=C1)C[C@@H]2CO[C@H]([C@]2(CC3=CC(=C(C=C3)O)OC)O)O)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cytisus Austriacus (Plant) Rel Props:Source_db:cmaup_ingredients