(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-[(1R)-1-hydroxypropyl]-2,6-dimethoxyphenoxy]oxane-3,4,5-triol
PubChem CID: 11122303
Connections displayed (default: 10).
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| Topological Polar Surface Area | 138.0 |
|---|---|
| Hydrogen Bond Donor Count | 5.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 409.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 6.0 |
| Iupac Name | (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-[(1R)-1-hydroxypropyl]-2,6-dimethoxyphenoxy]oxane-3,4,5-triol |
| Prediction Hob | 1.0 |
| Xlogp | -1.0 |
| Molecular Formula | C17H26O9 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KUWOKUQHZUNAMF-HPMMKSJPSA-N |
| Fcsp3 | 0.6470588235294118 |
| Logs | -1.573 |
| Rotatable Bond Count | 7.0 |
| Logd | -0.535 |
| Compound Name | (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-[(1R)-1-hydroxypropyl]-2,6-dimethoxyphenoxy]oxane-3,4,5-triol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 374.158 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 374.158 |
| Hydrogen Bond Acceptor Count | 9.0 |
| Molecular Weight | 374.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 6.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.2210624307692315 |
| Inchi | InChI=1S/C17H26O9/c1-4-9(19)8-5-10(23-2)16(11(6-8)24-3)26-17-15(22)14(21)13(20)12(7-18)25-17/h5-6,9,12-15,17-22H,4,7H2,1-3H3/t9-,12-,13-,14+,15-,17+/m1/s1 |
| Smiles | CC[C@H](C1=CC(=C(C(=C1)OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)OC)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Coriandrum Sativum (Plant) Rel Props:Source_db:cmaup_ingredients