(2R)-2-(2-hydroxypropan-2-yl)-4-methoxy-5-oxo-2,3-dihydrofuro[3,2-g]chromene-7-carboxylic acid
PubChem CID: 101866715
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| Topological Polar Surface Area | 102.0 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 553.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2R)-2-(2-hydroxypropan-2-yl)-4-methoxy-5-oxo-2,3-dihydrofuro[3,2-g]chromene-7-carboxylic acid |
| Prediction Hob | 1.0 |
| Xlogp | 1.3 |
| Molecular Formula | C16H16O7 |
| Prediction Swissadme | 1.0 |
| Inchi Key | YJHFCJWBLAJYRN-GFCCVEGCSA-N |
| Fcsp3 | 0.375 |
| Logs | -2.962 |
| Rotatable Bond Count | 3.0 |
| Logd | 0.86 |
| Compound Name | (2R)-2-(2-hydroxypropan-2-yl)-4-methoxy-5-oxo-2,3-dihydrofuro[3,2-g]chromene-7-carboxylic acid |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 320.09 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 320.09 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 320.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.037780530434783 |
| Inchi | InChI=1S/C16H16O7/c1-16(2,20)12-4-7-9(23-12)6-10-13(14(7)21-3)8(17)5-11(22-10)15(18)19/h5-6,12,20H,4H2,1-3H3,(H,18,19)/t12-/m1/s1 |
| Smiles | CC(C)([C@H]1CC2=C(O1)C=C3C(=C2OC)C(=O)C=C(O3)C(=O)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Saposhnikovia Divaricata (Plant) Rel Props:Source_db:cmaup_ingredients