(1R,2R,4R,5S)-(+)-p-Menthane-2,5-diol
PubChem CID: 157009791
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| Compound Synonyms | (1R,2R,4R,5S)-(+)-p-Menthane-2,5-diol |
|---|---|
| Topological Polar Surface Area | 60.7 |
| Hydrogen Bond Donor Count | 3.0 |
| Inchi Key | OBMLZGDTTDRNLZ-BZNPZCIMSA-N |
| Rotatable Bond Count | 1.0 |
| Heavy Atom Count | 12.0 |
| Compound Name | (1R,2R,4R,5S)-(+)-p-Menthane-2,5-diol |
| Description | (1r,2r,4r,5s)-(+)-p-menthane-2,5-diol is a member of the class of compounds known as cyclohexanols. Cyclohexanols are compounds containing an alcohol group attached to a cyclohexane ring (1r,2r,4r,5s)-(+)-p-menthane-2,5-diol is soluble (in water) and a very weakly acidic compound (based on its pKa). (1r,2r,4r,5s)-(+)-p-menthane-2,5-diol can be found in cornmint, which makes (1r,2r,4r,5s)-(+)-p-menthane-2,5-diol a potential biomarker for the consumption of this food product. |
| Exact Mass | 174.126 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 174.126 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 147.0 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 174.24 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (1R,2R,4S,5R)-5-propan-2-ylcyclohexane-1,2,4-triol |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C9H18O3/c1-5(2)6-3-8(11)9(12)4-7(6)10/h5-12H,3-4H2,1-2H3/t6-,7+,8-,9-/m1/s1 |
| Smiles | CC(C)[C@H]1C[C@H]([C@@H](C[C@@H]1O)O)O |
| Xlogp | 0.4 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C9H18O3 |
- 1. Outgoing r'ship
FOUND_INto/from Mentha Arvensis (Plant) Rel Props:Source_db:fooddb_chem_all