(2S)-2-hydroxy-4-[[(1S,2R,5S)-2-hydroxy-2-methyl-5-prop-1-en-2-ylcyclopentyl]methyl]-3-methyl-2H-furan-5-one
PubChem CID: 162880153
Connections displayed (default: 10).
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| Topological Polar Surface Area | 66.8 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 451.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (2S)-2-hydroxy-4-[[(1S,2R,5S)-2-hydroxy-2-methyl-5-prop-1-en-2-ylcyclopentyl]methyl]-3-methyl-2H-furan-5-one |
| Prediction Hob | 1.0 |
| Xlogp | 1.7 |
| Molecular Formula | C15H22O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | QJXNUAMCHIIBHU-GVUJHPQVSA-N |
| Fcsp3 | 0.6666666666666666 |
| Logs | -2.816 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.671 |
| Compound Name | (2S)-2-hydroxy-4-[[(1S,2R,5S)-2-hydroxy-2-methyl-5-prop-1-en-2-ylcyclopentyl]methyl]-3-methyl-2H-furan-5-one |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 266.152 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 266.152 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 266.33 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.3579893999999997 |
| Inchi | InChI=1S/C15H22O4/c1-8(2)10-5-6-15(4,18)12(10)7-11-9(3)13(16)19-14(11)17/h10,12-13,16,18H,1,5-7H2,2-4H3/t10-,12+,13+,15-/m1/s1 |
| Smiles | CC1=C(C(=O)O[C@@H]1O)C[C@H]2[C@H](CC[C@@]2(C)O)C(=C)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Actinidia Deliciosa (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Lepidium Apetalum (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Momordica Dioica (Plant) Rel Props:Source_db:cmaup_ingredients