(4R,5S,6R)-6-(2-hydroxyethyl)-5,6-dihydro-4H-cyclopenta[c]furan-4,5-diol
PubChem CID: 5318702
Connections displayed (default: 10).
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| Topological Polar Surface Area | 73.8 |
|---|---|
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 184.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (4R,5S,6R)-6-(2-hydroxyethyl)-5,6-dihydro-4H-cyclopenta[c]furan-4,5-diol |
| Prediction Hob | 1.0 |
| Xlogp | -1.0 |
| Molecular Formula | C9H12O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | RMJMFPNPBUGUMP-HFHMMWAZSA-N |
| Fcsp3 | 0.5555555555555556 |
| Logs | -1.271 |
| Rotatable Bond Count | 2.0 |
| Logd | 0.349 |
| Compound Name | (4R,5S,6R)-6-(2-hydroxyethyl)-5,6-dihydro-4H-cyclopenta[c]furan-4,5-diol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 184.074 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 184.074 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 184.19 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.5171995846153846 |
| Inchi | InChI=1S/C9H12O4/c10-2-1-5-6-3-13-4-7(6)9(12)8(5)11/h3-5,8-12H,1-2H2/t5-,8+,9-/m1/s1 |
| Smiles | C1=C2[C@H]([C@@H]([C@@H](C2=CO1)O)O)CCO |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aquilaria Agallochum (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Rehmannia Glutinosa (Plant) Rel Props:Source_db:cmaup_ingredients