D-(+)-3-Phenyllactic acid - 10mM in DMSO , CAS No.7326-19-4

CAS: 7326-19-4 Cat. No.: D425723 분자식: C₉H₁₀O₃ 분자량: 166.17 Beilstein Registry Number: 2209793 EC 번호: 230-803-3

등급 & 순도 10mM in DMSO

Synonyms

l-2-hydroxy-3-phenyl-propionic acid|(s)-a-hydroxy-benzenepropanoate|(R)-(+)-2-Hydroxy-3-phenylpropionic Acid|D/L-3-phenyllactic acid|(rac)-2-hydroxy-3-phenylpropionic acid|3-Phenyllactic acid, (R)-|(s)-b-phenyllactic|(R)-(+)-3-Phenyllactic Acid|(-)-2-Hydroxy-3-phenylpropionate|(s)-a-hydroxy-benzenepropanoic acid|3-Phenyl-D-lactic acid|(R)-2-hydroxy-3-phenylpropanoicacid|(s)-beta-phenyllactic|L-3-Phenyllactate|(+)-2-Hydroxy-3-phenylpropionic acid|(s)-alpha-hydroxy-benzenepropanoate|(R)-2-Hydroxy-3-phenylpropionic acid|(-)-2-Hydroxy-3-phenylpropionic acid|(-)-2-Hydroxy-3-phenylpropanoate|L-Phenyl Lactate|(-)-b-phenyllactic acid|(2R)-2-hydroxy-3-phenylpropanoic acid|(2R)-2-Hydroxy-3-phenyl-propanoic acid|(S)-3-phenyl-Lactate|(R)-3-Phenyllactic acid|D-(+)-3-Phenyllactic acid|(2R)-hydroxy-3-phenylpropanoic acid|D-(+)-Phenyllactic acid|(R)-2-hydroxy-3-phenylpropanoic acid|A-Hydroxy-3-phenylpropionic acid|(-)-3-Phenyllactate|(-)-beta-phenyllactate|D-3-phenyllactic acid|(-)-beta-phenyllactic acid|(R)-3-(phenyl)lactate|(S)-3-phenyl-Lactic acid|(2S)-2-Hydroxy-3-phenylpropionate|(2S)-2-Hydroxy-3-phenylpropionic acid|(s)-alpha-hydroxy-benzenepropanoic acid|(-)-b-phenyllactate

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

개요

Chiral building block employed in the preparation of statine. Starting material in the preparation of the hypoglycemic agent enlitazone and of 15N-labeled phenylalanine.

사양

동의어

l-2-hydroxy-3-phenyl-propionic acid | (s)-a-hydroxy-benzenepropanoate | (R)-(+)-2-Hydroxy-3-phenylpropionic Acid | D/L-3-phenyllactic acid | (rac)-2-hydroxy-3-phenylpropionic acid | 3-Phenyllactic acid, (R)- | (s)-b-phenyllactic | (R)-(+)-3-Phenyllactic Acid | (-)-2-Hydroxy-3-phenylpropionate | (s)-a-hydroxy-benzenepropanoic acid | 3-Phen Show more

사양 및 순도

10mM in DMSO

보관 조건

Store at -80°C

배송

Dry ice packs + Cold packs

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작업 유형

INHIBITOR

이름과 식별자

Pubchem Sid

528763978

정식 스마일

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

IUPAC Name

(2R)-2-hydroxy-3-phenylpropanoic acid

InChIKey

VOXXWSYKYCBWHO-MRVPVSSYSA-N

INCHI

1S/C9H10O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12)/t8-/m1/s1

이성체 SMILES

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

WGK 독일

3

분자량

166.17

Beilstein

2209793

Reaxy-Rn

2209791

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2209791&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • 분류 Phenylpropanoic acids

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• 분류: Phenylpropanoic acids
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpropanoic acids
• Alternative Parents: Benzene and substituted derivatives Alpha hydroxy acids and derivatives Secondary alcohols Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 3-phenylpropanoic-acid - Alpha-hydroxy acid - Monocyclic benzene moiety - Hydroxy acid - Benzenoid - Secondary alcohol - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxygen compound - Alcohol - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as phenylpropanoic acids. These are compounds with a structure containing a benzene ring conjugated to a propanoic acid.
• External Descriptors: (2R)-2-hydroxy monocarboxylic acid - 3-phenyllactic 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

화학 및 물리적 특성

• 특정 회전[α]: 22° (C=2,H2O)
• 녹는점(°C): 122-124°C
• 분자량: 166.170 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 166.063 Da
• Monoisotopic Mass: 166.063 Da
• Topological Polar Surface Area: 57.500 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 150.000
• 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