Menthane (3,8-dihydroxy-p-, 7-carboxylic acid)
Showing entry for Menthane (3,8-dihydroxy-p-, 7-carboxylic acid)
Identification
- PhytoHub ID
- PHUB001018
- Name
- Menthane (3,8-dihydroxy-p-, 7-carboxylic acid)
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 202.25
- Monoisotopic Mass
- 202.12050906
- Chemical Formula
- C10H18O4
- IUPAC Name
- 3-hydroxy-4-(2-hydroxypropan-2-yl)cyclohexane-1-carboxylic acid
- InChI Key
- RIIGXCBSCSKGKB-UHFFFAOYSA-N
- InChI Identifier
InChI=1S/C10H18O4/c1-10(2,14)7-4-3-6(9(12)13)5-8(7)11/h6-8,11,14H,3-5H2,1-2H3,(H,12,13)
- SMILES
CC(C)(O)C1CCC(CC1O)C(O)=O
- Structure
Calculated Properties
- Solubility (ALOGPS)
- 4.55e+01 g/l
- LogS (ALOGPS)
- -0.65
- LogP (ALOGPS)
- 0.37
- Hydrogen Acceptors
- 4
- Hydrogen Donors
- 3
- Rotatable Bond Count
- 2
- Polar Surface Area
- 77.76
- Refractivity
- 50.87389999999999
- Polarizability
- 21.54644048785334
- Formal Charge
- 0
- Physiological Charge
- -1
- pKa (strongest basic)
- -2.8041821894323684
- pKa (strongest acidic)
- 4.540973534949695
External Links
No external links
Precursor Taxonomy
| Precursor | Family | Class | Sub-class | |
|---|---|---|---|---|
| Menthol | Terpenoids | Monoterpenoids | Not Available | Show Precursor |
Spectra
No spectra information available
Food Sources
| Precursor | Food Source | Food Source Group | |||
|---|---|---|---|---|---|
| Menthol | Peppermint | Herbs and Spices | Publications | Show |
Metabolism
| Precursor | Metabolite | Species | Biofluids | Formula | Monoisotopic mass | |||
|---|---|---|---|---|---|---|---|---|
| Menthol | Menthane (3,8-dihydroxy-p-, 7-carboxylic acid) | rat | urine | C10H18O4 | 202.12050906 | Publications |
Menthane (3,8-dihydroxy-p-, 7-carboxylic acid)