(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R,3S)-2,3,4-trihydroxy-3-methylbutoxy]oxane-3,4,5-triol
PubChem CID: 23638293
Connections displayed (default: 10).
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| Topological Polar Surface Area | 160.0 |
|---|---|
| Hydrogen Bond Donor Count | 7.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 302.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 7.0 |
| Iupac Name | (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R,3S)-2,3,4-trihydroxy-3-methylbutoxy]oxane-3,4,5-triol |
| Prediction Hob | 0.0 |
| Xlogp | -3.8 |
| Molecular Formula | C11H22O9 |
| Prediction Swissadme | 0.0 |
| Inchi Key | NPEJBFNVYLECJC-IKWTUWAXSA-N |
| Fcsp3 | 1.0 |
| Logs | -0.271 |
| Rotatable Bond Count | 6.0 |
| Logd | -2.404 |
| Compound Name | (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R,3S)-2,3,4-trihydroxy-3-methylbutoxy]oxane-3,4,5-triol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 298.126 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 298.126 |
| Hydrogen Bond Acceptor Count | 9.0 |
| Molecular Weight | 298.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 7.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 1.4660144000000002 |
| Inchi | InChI=1S/C11H22O9/c1-11(18,4-13)6(14)3-19-10-9(17)8(16)7(15)5(2-12)20-10/h5-10,12-18H,2-4H2,1H3/t5-,6-,7-,8+,9-,10-,11+/m1/s1 |
| Smiles | C[C@](CO)([C@@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Coriandrum Sativum (Plant) Rel Props:Source_db:cmaup_ingredients