(2R,3R,4S,5S,6S)-2-[4-(2-hydroxyethyl)-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
PubChem CID: 163041724
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| Topological Polar Surface Area | 129.0 |
|---|---|
| Hydrogen Bond Donor Count | 5.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 354.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 5.0 |
| Iupac Name | (2R,3R,4S,5S,6S)-2-[4-(2-hydroxyethyl)-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
| Prediction Hob | 0.0 |
| Xlogp | -1.5 |
| Molecular Formula | C15H22O8 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZZDVZVBAZHPHLY-ZQNQSHIBSA-N |
| Fcsp3 | 0.6 |
| Logs | -2.91 |
| Rotatable Bond Count | 6.0 |
| Logd | 2.221 |
| Compound Name | (2R,3R,4S,5S,6S)-2-[4-(2-hydroxyethyl)-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 330.131 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 330.131 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 330.33 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.7653080782608701 |
| Inchi | InChI=1S/C15H22O8/c1-21-10-6-8(4-5-16)2-3-9(10)22-15-14(20)13(19)12(18)11(7-17)23-15/h2-3,6,11-20H,4-5,7H2,1H3/t11-,12+,13-,14+,15-/m0/s1 |
| Smiles | COC1=C(C=CC(=C1)CCO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@@H](O2)CO)O)O)O |
| Nring | 8.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Urtica Cannabina (Plant) Rel Props:Source_db:cmaup_ingredients