(1S)-1-[5-(hydroxymethyl)furan-2-yl]-3,4-dihydro-1H-isochromene-6,7-diol
PubChem CID: 162858684
Connections displayed (default: 10).
Loading graph...
| Topological Polar Surface Area | 83.1 |
|---|---|
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 310.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (1S)-1-[5-(hydroxymethyl)furan-2-yl]-3,4-dihydro-1H-isochromene-6,7-diol |
| Prediction Hob | 1.0 |
| Xlogp | 0.8 |
| Molecular Formula | C14H14O5 |
| Prediction Swissadme | 1.0 |
| Inchi Key | XECOSGWOLIQEEO-AWEZNQCLSA-N |
| Fcsp3 | 0.2857142857142857 |
| Logs | -4.675 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.902 |
| Compound Name | (1S)-1-[5-(hydroxymethyl)furan-2-yl]-3,4-dihydro-1H-isochromene-6,7-diol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 262.084 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 262.084 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 262.26 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.2916392526315783 |
| Inchi | InChI=1S/C14H14O5/c15-7-9-1-2-13(19-9)14-10-6-12(17)11(16)5-8(10)3-4-18-14/h1-2,5-6,14-17H,3-4,7H2/t14-/m0/s1 |
| Smiles | C1CO[C@@H](C2=CC(=C(C=C21)O)O)C3=CC=C(O3)CO |
| Nring | 6.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Tabebuia Avellanedae (Plant) Rel Props:Source_db:cmaup_ingredients