(R)-(-)-Mandelic acid - ≥99% , CAS No.611-71-2

CAS: 611-71-2 Cat. No.: M107076 Fórmula: C₈H₈O₃ Peso molecular: 152.15 Beilstein Registry Number: 2691094 Número EC: 210-276-6

GRADE & PURITY ≥99%

Synonyms

(-)-Mandelic acid | mandelic_acid | s9003 | 1mcz | D-(-)-Mandelic acid, puriss., >=99.0% (T) | NCGC00166022-01 | (-)-(R)-Mandelate | D70151 | (-)-(R) alpha-hydroxybenzeneacetic acid | DTXSID4046523 | SR-01000946767-1 | (-)-alpha-Hydroxyphenylacetic acid |

Storage

Protected from light,Room temperature

Shipped In

Normal

Descripción general

(R)-(-)-Mandelic acid, a chiral resolving agent, is also used as a building block to synthesize pharmaceutical drugs such as penicillin and cephalosporin. It can be synthesized from (R,S)-mandelonitrile with high yield and enantioselectivity using nitrilase enzyme.
R-(-)-Mandelic Acid is a synthetic intermediate commonly used for pharmaceutical synthesis. ;(R)-(-)-Mandelic acid has been used in studies to assess its ability to undergo spontaneous oscillatory chiral conversion and spontaneous condensation to form polymandelic acid.

Specifications

Sinónimos

(-)-Mandelic acid | mandelic_acid | s9003 | 1mcz | D-(-)-Mandelic acid, puriss., >=99.0% (T) | NCGC00166022-01 | (-)-(R)-Mandelate | D70151 | (-)-(R) alpha-hydroxybenzeneacetic acid | DTXSID4046523 | SR-01000946767-1 | (-)-alpha-Hydroxyphenylacetic acid |

Especificaciones y pureza

≥99%

Condiciones de almacenamiento de almacenamiento

Protected from light,Room temperature

Enviado en

Normal

Pureza

≥99%

Nombres e identificadores

Pubchem Sid

488181475

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488181475

Sonrisas canónicas

C1=CC=C(C=C1)C(C(=O)O)O

IUPAC Name

(2R)-2-hydroxy-2-phenylacetic acid

InChIKey

IWYDHOAUDWTVEP-SSDOTTSWSA-N

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

Isómeros SMILES

C1=CC=C(C=C1)[C@H](C(=O)O)O

WGK Alemania

1

Peso molecular

152.15

Beilstein

2691094

Reaxy-Rn

510011

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=510011&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Alpha hydroxy acids and derivatives Secondary alcohols Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds Aromatic alcohols
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Hydroxy acid - Monocyclic benzene moiety - Alpha-hydroxy acid - Secondary alcohol - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic alcohol - Organooxygen compound - Carbonyl group - Alcohol - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• External Descriptors: mandelic acid

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Objetivos asociados (humanos)

PTPN7 Tchem Protein-tyrosine phosphatase LC-PTP (886 Activities)

Discover Target: PTPN7

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

GAPDH Tchem Glyceraldehyde-3-phosphate dehydrogenase liver (1284 Activities)

Discover Target: GAPDH

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Objetivos asociados (no humanos)

Ptpn1 Protein-tyrosine phosphatase 1B (270 Activities)

Discover Target: Ptpn1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

mdlA Mandelate racemase (27 Activities)

Discover Target: mdlA

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Dusp6 Dual specificity protein phosphatase 6 (459 Activities)

Discover Target: Dusp6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: It is partly soluble in water, freely soluble in isopropyl and ethyl alcohol.
• Sensibilidad: Light sensitive.
• Rotación específica [α]: -150.0 to -157.0 deg(C=1, H2O)
• Punto de inflamación (°F): >374 °F
• Punto de inflamación (°C): >190 °C
• Punto de fusión (°C): 131-135°C
• Peso molecular: 152.150 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 152.047 Da
• Monoisotopic Mass: 152.047 Da
• Topological Polar Surface Area: 57.500 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 138.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1