(2'R)-2'-ethenyl-4,7-bis(4-hydroxyphenyl)spiro[1,3-benzodioxole-2,5'-2H-furan]-5,6-dione
PubChem CID: 163015127
Connections displayed (default: 10).
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| Topological Polar Surface Area | 102.0 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 31.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 837.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2'R)-2'-ethenyl-4,7-bis(4-hydroxyphenyl)spiro[1,3-benzodioxole-2,5'-2H-furan]-5,6-dione |
| Prediction Hob | 1.0 |
| Xlogp | 3.1 |
| Molecular Formula | C24H16O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YRNZFOHATQVXMR-QGZVFWFLSA-N |
| Fcsp3 | 0.0833333333333333 |
| Logs | -4.323 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.066 |
| Compound Name | (2'R)-2'-ethenyl-4,7-bis(4-hydroxyphenyl)spiro[1,3-benzodioxole-2,5'-2H-furan]-5,6-dione |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 416.09 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 416.09 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 416.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.431538612903226 |
| Inchi | InChI=1S/C24H16O7/c1-2-17-11-12-24(29-17)30-22-18(13-3-7-15(25)8-4-13)20(27)21(28)19(23(22)31-24)14-5-9-16(26)10-6-14/h2-12,17,25-26H,1H2/t17-/m1/s1 |
| Smiles | C=C[C@@H]1C=CC2(O1)OC3=C(C(=O)C(=O)C(=C3O2)C4=CC=C(C=C4)O)C5=CC=C(C=C5)O |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Vigna Angularis (Plant) Rel Props:Source_db:cmaup_ingredients