(6S)-5-hydroxy-6-[(6R)-10-(4-hydroxyphenyl)-6-methyldecyl]-4,6-dimethyl-1,2-dioxin-3-one
PubChem CID: 163060260
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| Topological Polar Surface Area | 76.0 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 28.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 521.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (6S)-5-hydroxy-6-[(6R)-10-(4-hydroxyphenyl)-6-methyldecyl]-4,6-dimethyl-1,2-dioxin-3-one |
| Prediction Hob | 1.0 |
| Xlogp | 6.6 |
| Molecular Formula | C23H34O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | NHEHYHZONGMWAU-HXOBKFHXSA-N |
| Fcsp3 | 0.6086956521739131 |
| Logs | -4.482 |
| Rotatable Bond Count | 11.0 |
| Logd | 4.429 |
| Compound Name | (6S)-5-hydroxy-6-[(6R)-10-(4-hydroxyphenyl)-6-methyldecyl]-4,6-dimethyl-1,2-dioxin-3-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 390.241 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 390.241 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 390.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.845495428571429 |
| Inchi | InChI=1S/C23H34O5/c1-17(10-6-7-11-19-12-14-20(24)15-13-19)9-5-4-8-16-23(3)21(25)18(2)22(26)27-28-23/h12-15,17,24-25H,4-11,16H2,1-3H3/t17-,23+/m1/s1 |
| Smiles | CC1=C([C@](OOC1=O)(C)CCCCC[C@@H](C)CCCCC2=CC=C(C=C2)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Nyssa Sylvatica (Plant) Rel Props:Source_db:cmaup_ingredients