(1R,2R,3R,4S)-Cyclohex-5-ene-1,2,3,4-tetraol
PubChem CID: 10057625
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| Compound Synonyms | 6090-98-8, (1R,2R,3R,4S)-Cyclohex-5-ene-1,2,3,4-tetraol, CHEMBL19682 |
|---|---|
| Topological Polar Surface Area | 80.9 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 129.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (1R,2R,3R,4S)-cyclohex-5-ene-1,2,3,4-tetrol |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | -2.1 |
| Is Pains | False |
| Molecular Formula | C6H10O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | LRUBQXAKGXQBHA-JGWLITMVSA-N |
| Fcsp3 | 0.6666666666666666 |
| Rotatable Bond Count | 0.0 |
| Compound Name | (1R,2R,3R,4S)-Cyclohex-5-ene-1,2,3,4-tetraol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 146.058 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 146.058 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 146.14 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 0.5643196 |
| Inchi | InChI=1S/C6H10O4/c7-3-1-2-4(8)6(10)5(3)9/h1-10H/t3-,4+,5-,6-/m1/s1 |
| Smiles | C1=C[C@@H]([C@H]([C@@H]([C@@H]1O)O)O)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cynanchum Wilfordii (Plant) Rel Props:Source_db:cmaup_ingredients