(8S)-8-[(2S)-1,2-dihydroxypropan-2-yl]-8,9-dihydrofuro[2,3-h]chromen-2-one
PubChem CID: 139057674
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| Compound Synonyms | Angelidiol, AKOS040735690 |
|---|---|
| Prediction Swissadme | 0.0 |
| Topological Polar Surface Area | 76.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Inchi Key | QWQZTILKTKQJTA-FZMZJTMJSA-N |
| Fcsp3 | 0.3571428571428571 |
| Rotatable Bond Count | 2.0 |
| Heavy Atom Count | 19.0 |
| Compound Name | (8S)-8-[(2S)-1,2-dihydroxypropan-2-yl]-8,9-dihydrofuro[2,3-h]chromen-2-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 262.084 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 262.084 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 407.0 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 262.26 |
| Database Name | cmaup_ingredients;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (8S)-8-[(2S)-1,2-dihydroxypropan-2-yl]-8,9-dihydrofuro[2,3-h]chromen-2-one |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Prediction Hob | 1.0 |
| Esol | -1.2005918842105259 |
| Inchi | InChI=1S/C14H14O5/c1-14(17,7-15)11-6-9-10(18-11)4-2-8-3-5-12(16)19-13(8)9/h2-5,11,15,17H,6-7H2,1H3/t11-,14-/m0/s1 |
| Smiles | C[C@](CO)([C@@H]1CC2=C(O1)C=CC3=C2OC(=O)C=C3)O |
| Xlogp | 0.9 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C14H14O5 |
- 1. Outgoing r'ship
FOUND_INto/from Angelica Pubescens (Plant) Rel Props:Source_db:cmaup_ingredients