(r)-Mandelic acid
PubChem CID: 11914
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| Compound Synonyms | 611-71-2, (R)-(-)-Mandelic acid, (r)-mandelic acid, (R)-2-Hydroxy-2-phenylacetic acid, D-Mandelic acid, D-(-)-MANDELIC ACID, (-)-Mandelic acid, D(-)-Mandelic acid, (2R)-2-hydroxy-2-phenylacetic acid, Mandelic acid, (R)-, D-2-Phenylglycolic acid, (-)-(R)-Mandelic acid, (R)-alpha-Hydroxyphenylacetic acid, R-(-)-Mandelic acid, Mandelic acid, D-, (-)-alpha-Hydroxyphenylacetic acid, (R)-alpha-Hydroxybenzeneacetic acid, (R)-Mandelsaeure, MFCD00064251, (R)-A-Hydroxyphenylacetic acid, PPL7YW1M9W, CHEMBL292411, DTXSID4046523, CHEBI:17656, (2R)-hydroxy(phenyl)acetic acid, Hydroxy-Phenyl-Acetic Acid Anion, (2R)-hydroxy(phenyl)ethanoic acid, mandelic_acid, mandelic-acid, RMN, (2R)-Hydroxyphenylacetic Acid ((R)-Mandelic Acid), DTXCID2026523, R(-)-Mandelic Acid, (R)-(-)-Amygdalic Acid, CAS-611-71-2, (R)-Hydroxy(phenyl)acetic acid, Benzeneacetic acid, .alpha.-hydroxy-, (.alpha.R)-, UNII-PPL7YW1M9W, (L)-(+)-Mandelic acid, (-)-D-MANDELIC ACID, 1mcz, 1mdl, L-2-Hydroxy-2-phenylacetic acid, (-)-mandelate, NCGC00166022-01, d - mandelic acid, EINECS 210-276-6, D-2-Phenylglycolate, Sertraline impurity E, (-)-(R)-Mandelate, (r)(-)-mandelic acid, Benzeneacetic acid, alpha-hydroxy-, (-)-, Maybridge1_004148, (r)-(-) mandelic acid, (R)-(+)-mandelic acid, (R)-a-Hydroxyphenylacetate, (R)-Hydroxyphenylaceticacid, Benzeneacetic acid, alpha-hydroxy-, (alphaR)-, (-)-a-Hydroxyphenylacetate, (R)-a-Hydroxybenzeneacetate, Hydroxy-phenyl-acetate anion, (R)-(-)- mandelic acid, (r)-(-)-d-mandelic acid, Oprea1_502663, cid_11914, SCHEMBL165161, (-)-alpha-Hydroxyphenylacetate, (R)-alpha-Hydroxyphenylacetate, (-)-a-Hydroxyphenylacetic acid, (R)-alpha-Hydroxybenzeneacetate, (R)-a-Hydroxybenzeneacetic acid, BDBM16421, HMS553E14, HY-Y0585R, D,L-mandelic acid redetermination, D-(-)-Mandelic acid (Standard), HMS3650C13, (R)-(-)-Mandelic acid, 98%, HY-Y0585, STR08136, Tox21_112292, s9003, (2R)-HYDROXYPHENYLACETIC ACID, AKOS005256699, Tox21_112292_1, (2R)-2-hydroxy-2-phenyl-acetic acid, AC-2490, CCG-266220, CS-W020074, DB02280, FM25007, (-)-(R)alpha-hydroxybenzeneacetic acid, (-)-(R) alpha-hydroxybenzeneacetic acid, NCGC00166022-02, (2R)-2-oxidanyl-2-phenyl-ethanoic acid, Benzeneacetic acid, alpha-hydroxy-, (R)-, M0662, NS00098847, (R)-.ALPHA.-HYDROXYBENZENEACETIC ACID, C01983, D70151, EN300-100159, MLS-0090888.0001, D-(-)-Mandelic acid, purum, >=98.0% (T), D-(-)-Mandelic acid, puriss., >=99.0% (T), SR-01000946767, (R)-(-)-Mandelic acid, ReagentPlus(R), >=99%, SR-01000946767-1, Q63390533, (R)-(-)-Mandelic acid, Vetec(TM) reagent grade, 98%, F1905-7046, SERTRALINE HYDROCHLORIDE IMPURITY E [EP IMPURITY], Z1255390767, 08C65DF7-6DDF-44B3-9490-02A43D9D33C1, (R)-(-)-Mandelic acid, ChiPros(R), produced by BASF, 99%, Sertraline impurity E, European Pharmacopoeia (EP) Reference Standard, (R)-a-Hydroxy-benzeneacetic acid, (R)-2-Hydroxy-2-phenylacetic acid, (R)-2-Phenylglycolic acid |
|---|---|
| Topological Polar Surface Area | 57.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 138.0 |
| Database Name | cmaup_ingredients;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Uniprot Id | P18031, P11444, P35236, P04406, Q64346, n.a., P0DTD1 |
| Iupac Name | (2R)-2-hydroxy-2-phenylacetic acid |
| Prediction Hob | 1.0 |
| Class | Benzene and substituted derivatives |
| Target Id | NPT178 |
| Xlogp | 0.6 |
| Superclass | Benzenoids |
| Molecular Formula | C8H8O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | IWYDHOAUDWTVEP-SSDOTTSWSA-N |
| Fcsp3 | 0.125 |
| Logs | -1.279 |
| Rotatable Bond Count | 2.0 |
| Logd | 0.711 |
| Synonyms | (-)-(R)-Mandelic acid, (-)-alpha-Hydroxyphenylacetic acid, (-)-Mandelic acid, (2R)-2-Hydroxy-2-phenylacetic acid, (R)-2-Hydroxy-2-phenylacetic acid, (R)-alpha-Hydroxybenzeneacetic acid, (R)-alpha-Hydroxyphenylacetic acid, (R)-Mandelsaeure, D(-)-Mandelic acid, D-2-Phenylglycolic acid, D-Mandelic acid, (R)-2-Hydroxy-2-phenylacetate, (-)-(R)-Mandelate, (-)-a-Hydroxyphenylacetate, (-)-a-Hydroxyphenylacetic acid, (-)-alpha-Hydroxyphenylacetate, (-)-Α-hydroxyphenylacetate, (-)-Α-hydroxyphenylacetic acid, (-)-Mandelate, (2R)-2-Hydroxy-2-phenylacetate, (R)-a-Hydroxybenzeneacetate, (R)-a-Hydroxybenzeneacetic acid, (R)-alpha-Hydroxybenzeneacetate, (R)-Α-hydroxybenzeneacetate, (R)-Α-hydroxybenzeneacetic acid, (R)-a-Hydroxyphenylacetate, (R)-a-Hydroxyphenylacetic acid, (R)-alpha-Hydroxyphenylacetate, (R)-Α-hydroxyphenylacetate, (R)-Α-hydroxyphenylacetic acid, D(-)-Mandelate, D-2-Phenylglycolate, D-Mandelate, (R)-Mandelate |
| Compound Name | (r)-Mandelic acid |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 152.047 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 152.047 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 152.15 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Esol | -1.4455601636363633 |
| Inchi | InChI=1S/C8H8O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7,9H,(H,10,11)/t7-/m1/s1 |
| Smiles | C1=CC=C(C=C1)[C@H](C(=O)O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Benzene and substituted derivatives |
- 1. Outgoing r'ship
FOUND_INto/from Aloe Africana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Aloe Barbadensis (Plant) Rel Props:Source_db:npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Aloe Ferox (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Aloe Spicata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Aloe Vera (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Pogostemon Cablin (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all