(2r,3r,4s,5s,6s)-Heptane-1,2,3,4,5,6-hexaol
PubChem CID: 129854159
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| Compound Synonyms | (2r,3r,4s,5s,6s)-heptane-1,2,3,4,5,6-hexaol |
|---|---|
| Topological Polar Surface Area | 121.0 |
| Hydrogen Bond Donor Count | 6.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 141.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 5.0 |
| Iupac Name | (2R,3R,4S,5S,6S)-heptane-1,2,3,4,5,6-hexol |
| Prediction Hob | 0.0 |
| Xlogp | -2.7 |
| Molecular Formula | C7H16O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CCLARULDIPFTCP-FHKSGDNWSA-N |
| Fcsp3 | 1.0 |
| Logs | -0.077 |
| Rotatable Bond Count | 5.0 |
| Logd | -2.297 |
| Compound Name | (2r,3r,4s,5s,6s)-Heptane-1,2,3,4,5,6-hexaol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 196.095 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 196.095 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 196.2 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 0.9556661999999998 |
| Inchi | InChI=1S/C7H16O6/c1-3(9)5(11)7(13)6(12)4(10)2-8/h3-13H,2H2,1H3/t3-,4+,5-,6+,7-/m0/s1 |
| Smiles | C[C@@H]([C@@H]([C@@H]([C@@H]([C@@H](CO)O)O)O)O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Vitex Altissima (Plant) Rel Props:Source_db:cmaup_ingredients