10 Hydroxyipomeabisfuran
PubChem CID: 162623641
Connections displayed (default: 10).
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| Compound Synonyms | 10 Hydroxyipomeabisfuran, 10-Hydroxyipomeabisfuran, 10-Hydroxy-ipomeabisfuran, 97RK8WNM26, UNII-97RK8WNM26, (5-(((2S,5R)-5-(3-Furyl)-2-methyl-tetrahydrofuran-2-yl)methyl)-3-furyl)methanol, 3-Furanmethanol, 5-((2,3,4,5-tetrahydro-5-methyl(2,3'-bifuran)-5-yl)methyl)-, (2R-cis)-, 92448-67-4 |
|---|---|
| Topological Polar Surface Area | 55.7 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 309.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | [5-[[(2S,5R)-5-(furan-3-yl)-2-methyloxolan-2-yl]methyl]furan-3-yl]methanol |
| Prediction Hob | 1.0 |
| Xlogp | 1.6 |
| Molecular Formula | C15H18O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | MKVPSLGZDZXYME-CABCVRRESA-N |
| Fcsp3 | 0.4666666666666667 |
| Logs | -2.435 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.511 |
| Compound Name | 10 Hydroxyipomeabisfuran |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 262.121 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 262.121 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 262.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.587164684210526 |
| Inchi | InChI=1S/C15H18O4/c1-15(7-13-6-11(8-16)9-18-13)4-2-14(19-15)12-3-5-17-10-12/h3,5-6,9-10,14,16H,2,4,7-8H2,1H3/t14-,15+/m1/s1 |
| Smiles | C[C@]1(CC[C@@H](O1)C2=COC=C2)CC3=CC(=CO3)CO |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Gilvescens (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Datura Stramonium (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Oenanthe Fistulosa (Plant) Rel Props:Source_db:cmaup_ingredients