2-[(2R)-6-(2-methylbut-3-en-2-yl)-7-oxo-2,3-dihydrofuro[3,2-g]chromen-2-yl]propan-2-yl 2-phenylethyl carbonate
PubChem CID: 137661011
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | CHEMBL4101578 |
|---|---|
| Topological Polar Surface Area | 71.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 34.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 806.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | 2-[(2R)-6-(2-methylbut-3-en-2-yl)-7-oxo-2,3-dihydrofuro[3,2-g]chromen-2-yl]propan-2-yl 2-phenylethyl carbonate |
| Prediction Hob | 1.0 |
| Xlogp | 6.8 |
| Molecular Formula | C28H30O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VFIGPUOIDZJBKU-XMMPIXPASA-N |
| Fcsp3 | 0.3571428571428571 |
| Logs | -6.663 |
| Rotatable Bond Count | 9.0 |
| Logd | 4.31 |
| Compound Name | 2-[(2R)-6-(2-methylbut-3-en-2-yl)-7-oxo-2,3-dihydrofuro[3,2-g]chromen-2-yl]propan-2-yl 2-phenylethyl carbonate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 462.204 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 462.204 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 462.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.0214956941176485 |
| Inchi | InChI=1S/C28H30O6/c1-6-27(2,3)21-15-19-14-20-16-24(32-22(20)17-23(19)33-25(21)29)28(4,5)34-26(30)31-13-12-18-10-8-7-9-11-18/h6-11,14-15,17,24H,1,12-13,16H2,2-5H3/t24-/m1/s1 |
| Smiles | CC(C)(C=C)C1=CC2=CC3=C(C=C2OC1=O)O[C@H](C3)C(C)(C)OC(=O)OCCC4=CC=CC=C4 |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ruta Graveolens (Plant) Rel Props:Source_db:cmaup_ingredients