3-Hydroxymandelic acid, (+)-
PubChem CID: 13358353
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | L-m-Hydroxymandelic acid, L-3-hydroxymandelic acid, 3-Hydroxymandelic acid, (+)-, (+)-m-Hydroxymandelic acid, (S)-3-Hydroxymandelic acid, UNII-4149732N7O, 17514-00-0, 4149732N7O, Benzeneacetic acid, alpha,3-dihydroxy-, (alphaS)-, (+)-3-hydroxymandelic acid, SCHEMBL6402095, Q27258387, BENZENEACETIC ACID, .ALPHA.,3-DIHYDROXY-, (.ALPHA.S)- |
|---|---|
| Topological Polar Surface Area | 77.8 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 168.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2S)-2-hydroxy-2-(3-hydroxyphenyl)acetic acid |
| Prediction Hob | 1.0 |
| Xlogp | -0.1 |
| Molecular Formula | C8H8O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OLSDAJRAVOVKLG-ZETCQYMHSA-N |
| Fcsp3 | 0.125 |
| Logs | -1.173 |
| Rotatable Bond Count | 2.0 |
| Logd | 0.586 |
| Compound Name | 3-Hydroxymandelic acid, (+)- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 168.042 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 168.042 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 168.15 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.0449175999999998 |
| Inchi | InChI=1S/C8H8O4/c9-6-3-1-2-5(4-6)7(10)8(11)12/h1-4,7,9-10H,(H,11,12)/t7-/m0/s1 |
| Smiles | C1=CC(=CC(=C1)O)[C@@H](C(=O)O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aloe Africana (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Aloe Ferox (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Aloe Spicata (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Aloe Vera (Plant) Rel Props:Source_db:cmaup_ingredients