D-(-)-Quinic acid, tetramethyl ether, methyl ester
PubChem CID: 91725778
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| Compound Synonyms | LOCXZLDUCPQHSP-UHFFFAOYSA-N, D-(-)-Quinic acid, tetramethyl ether, methyl ester |
|---|---|
| Topological Polar Surface Area | 63.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 266.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | methyl 1,3,4,5-tetramethoxycyclohexane-1-carboxylate |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 0.1 |
| Is Pains | False |
| Molecular Formula | C12H22O6 |
| Prediction Swissadme | 1.0 |
| Inchi Key | LOCXZLDUCPQHSP-UHFFFAOYSA-N |
| Fcsp3 | 0.9166666666666666 |
| Rotatable Bond Count | 6.0 |
| Compound Name | D-(-)-Quinic acid, tetramethyl ether, methyl ester |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 262.142 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 262.142 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 262.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.1332723999999996 |
| Inchi | InChI=1S/C12H22O6/c1-14-8-6-12(18-5,11(13)17-4)7-9(15-2)10(8)16-3/h8-10H,6-7H2,1-5H3 |
| Smiles | COC1CC(CC(C1OC)OC)(C(=O)OC)OC |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Xanthium Sibiricum (Plant) Rel Props:Source_db:cmaup_ingredients