(2R,3S,4S,5R)-2-(2,2-dimethylchromen-6-yl)oxy-5-(hydroxymethyl)oxolane-3,4-diol
PubChem CID: 162929930
Connections displayed (default: 10).
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| Topological Polar Surface Area | 88.4 |
|---|---|
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 423.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (2R,3S,4S,5R)-2-(2,2-dimethylchromen-6-yl)oxy-5-(hydroxymethyl)oxolane-3,4-diol |
| Prediction Hob | 1.0 |
| Xlogp | 1.3 |
| Molecular Formula | C16H20O6 |
| Prediction Swissadme | 1.0 |
| Inchi Key | VWBXKUAVNIEMKH-KBXIAJHMSA-N |
| Fcsp3 | 0.5 |
| Logs | -2.98 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.014 |
| Compound Name | (2R,3S,4S,5R)-2-(2,2-dimethylchromen-6-yl)oxy-5-(hydroxymethyl)oxolane-3,4-diol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 308.126 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 308.126 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 308.33 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.5744641818181817 |
| Inchi | InChI=1S/C16H20O6/c1-16(2)6-5-9-7-10(3-4-11(9)22-16)20-15-14(19)13(18)12(8-17)21-15/h3-7,12-15,17-19H,8H2,1-2H3/t12-,13-,14+,15+/m1/s1 |
| Smiles | CC1(C=CC2=C(O1)C=CC(=C2)O[C@@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Eucalyptus Maideni (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Pachysandra Procumbens (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Trema Dielsiana (Plant) Rel Props:Source_db:cmaup_ingredients