(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R)-2-hydroxypropoxy]oxane-3,4,5-triol
PubChem CID: 93493141
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| Topological Polar Surface Area | 120.0 |
|---|---|
| Hydrogen Bond Donor Count | 5.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 212.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 6.0 |
| Iupac Name | (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R)-2-hydroxypropoxy]oxane-3,4,5-triol |
| Prediction Hob | 1.0 |
| Xlogp | -2.4 |
| Molecular Formula | C9H18O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | AJLVEHFNMNRXNI-VMQOHUEUSA-N |
| Fcsp3 | 1.0 |
| Logs | -3.108 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.467 |
| Compound Name | (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R)-2-hydroxypropoxy]oxane-3,4,5-triol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 238.105 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 238.105 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 238.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 6.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 0.7739368000000002 |
| Inchi | InChI=1S/C9H18O7/c1-4(11)3-15-9-8(14)7(13)6(12)5(2-10)16-9/h4-14H,2-3H2,1H3/t4-,5-,6-,7+,8-,9-/m1/s1 |
| Smiles | C[C@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O |
| Nring | 9.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Coriandrum Sativum (Plant) Rel Props:Source_db:cmaup_ingredients