(1R,2R,4R,5R)-cyclohexane-1,2,3,4,5-pentol
PubChem CID: 10877455
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| Topological Polar Surface Area | 101.0 |
|---|---|
| Hydrogen Bond Donor Count | 5.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 125.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (1R,2R,4R,5R)-cyclohexane-1,2,3,4,5-pentol |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | -2.7 |
| Is Pains | False |
| Molecular Formula | C6H12O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | IMPKVMRTXBRHRB-TXICZTDVSA-N |
| Fcsp3 | 1.0 |
| Rotatable Bond Count | 0.0 |
| Compound Name | (1R,2R,4R,5R)-cyclohexane-1,2,3,4,5-pentol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 164.068 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 164.068 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 164.16 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 0.8621266000000001 |
| Inchi | InChI=1S/C6H12O5/c7-2-1-3(8)5(10)6(11)4(2)9/h2-11H,1H2/t2-,3-,4-,5-/m1/s1 |
| Smiles | C1[C@H]([C@H](C([C@@H]([C@@H]1O)O)O)O)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Achillea Millefolium (Plant) Rel Props:Source_db:cmaup_ingredients