D-(+)-3-Phenyllactic acid - Moligand™, ≥98% , CAS No.7326-19-4

CAS: 7326-19-4 Cat. No.: P102443 분자식: C₉H₁₀O₃ 분자량: 166.17 Beilstein Registry Number: 2209793 EC 번호: 230-803-3

GRADE & PURITY Moligand™, ≥98%

Synonyms

D-?(+)?-?Phenyllactic acid | l-2-hydroxy-3-phenyl-propionic acid | SCHEMBL180366 | (s)-a-hydroxy-benzenepropanoate | (R)-(+)-2-Hydroxy-3-phenylpropionic Acid | HY-30219 | AKOS005146076 | D/L-3-phenyllactic acid | (rac)-2-hydroxy-3-phenylpropionic acid | 3

Storage

Room temperature

Shipped In

Normal

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.

Specifications

동의어

D-?(+)?-?Phenyllactic acid | l-2-hydroxy-3-phenyl-propionic acid | SCHEMBL180366 | (s)-a-hydroxy-benzenepropanoate | (R)-(+)-2-Hydroxy-3-phenylpropionic Acid | HY-30219 | AKOS005146076 | D/L-3-phenyllactic acid | (rac)-2-hydroxy-3-phenylpropionic acid | 3

사양 및 순도

Moligand™, ≥98%

보관 조건

Room temperature

배송

Normal

등급

Moligand™

작업 유형

INHIBITOR

순수함

≥98%

이름과 식별자

• Pubchem Sid: 488190957
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488190957
• 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

• 용해성: Soluble in water
• 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

참고 문헌

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2. Rui Cai, Linlin Gao, Yuxiang Zhang, Lu Cui, Yahong Yuan, Zhouli Wang, Tianli Yue.  (2024)  Inactivation activity and mechanism of natural antimicrobial agents against Alicyclobacillus spp. in apple juice.  FOOD CONTROL,      [PMID:] [10.1016/j.foodcont.2024.111119]

3. Yuan Li, Jiwei Qiu, Zhihong Liu, Huiwen Xiao, Bin Wang, Yanxi Dong, Yunong Xiao, Qi Wang, Jiali Dong, Ming Cui.  (2025)  Phytate enhances gut Parasutterella colonization to alleviate radiation injury.  Cell Chemical Biology,      [PMID:41253152] [10.1016/j.chembiol.2025.10.009]

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5. Mingyang Hu, Ying He, Yunying Wang, Hongzhi Du, Liang Wang, Jie Yang, Yun Liu.  (2026)  Dual Active Sites of Metal-Free N,S-Doped Lignin-Derived Carbon Catalysts for Oxidative Esterification Depolymerization of Polyethylene Terephthalate.  ACS Sustainable Chemistry & Engineering,      [PMID:] [10.1021/acssuschemeng.5c12502]

6. Jingfei Wang, Shuting Li, Liwu Liu, Fukai Liu, Cheng Lin, Yanju Liu, Jinsong Leng.  (2026)  4D-Printed Intelligent Reconfigurable Occluder With Anti-Thrombotic and Rapid-Repairing Capabilities for Patent Foramen Ovale.  Advanced Healthcare Materials,      [PMID:41645865] [10.1002/adhm.202505214]

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