3,4,5-Trihydroxybenzaldehyde - ≥98% , CAS No.13677-79-7

CAS: 13677-79-7 Cat. No.: T190718 Peso molecular: 154.12 Número EC: 237-168-1 PubChem CID: 83651

GRADE & PURITY ≥98%

Synonyms

3,4,5-Trihydroxybenzaldehyde | 3,4,5-trihydroxy-benzaldehyde | YSWG237 | 3,4,5-tris(oxidanyl)benzaldehyde | EINECS 237-168-1 | 3,4,5-Trihydroxybenzaldehyde, AldrichCPR | NSC55483 | A807127 | DTXSID10159917 | EN300-266992 | NSC153692 | C2K4P9N82X | Gallald

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

3, 4, 5-Trihydroxybenzaldehyde | 3, 4, 5-trihydroxy-benzaldehyde | YSWG237 | 3, 4, 5-tris(oxidanyl)benzaldehyde | EINECS 237-168-1 | 3, 4, 5-Trihydroxybenzaldehyde, AldrichCPR | NSC55483 | A807127 | DTXSID10159917 | EN300-266992 | NSC153692 | C2K4P9N82X | Gallald

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Tipo de acción

INHIBITOR

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504755691
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755691
• Sonrisas canónicas: C1=C(C=C(C(=C1O)O)O)C=O
• IUPAC Name: 3,4,5-trihydroxybenzaldehyde
• InChIKey: RGZHEOWNTDJLAQ-UHFFFAOYSA-N
• INCHI: 1S/C7H6O4/c8-3-4-1-5(9)7(11)6(10)2-4/h1-3,9-11H
• Isómeros SMILES: C1=C(C=C(C(=C1O)O)O)C=O
• PubChem CID: 83651
• Peso molecular: 154.12

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Phenols
      • Subclass Benzenetriols and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Phenols
• Subclass: Benzenetriols and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrogallols and derivatives
• Alternative Parents: Hydroxybenzaldehydes Benzoyl derivatives 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Polyols Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Hydroxybenzaldehyde - Pyrogallol derivative - Benzoyl - Benzaldehyde - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Aryl-aldehyde - Monocyclic benzene moiety - Polyol - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aldehyde - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pyrogallols and derivatives. These are compounds containing a 1,2,3-trihydroxybenzene moiety.
• External Descriptors: Not available

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)

A549 (127892 Activities)

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T47D (39041 Activities)

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WiDr (1835 Activities)

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HeLa (62764 Activities)

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SW1573 (1008 Activities)

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Objetivos asociados (no humanos)

Vibrio harveyi (399 Activities)

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Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in DMSO and Methanol.
• Sensibilidad: Air sensitive
• Punto de fusión (°C): 215 °C
• Peso molecular: 154.120 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 154.027 Da
• Monoisotopic Mass: 154.027 Da
• Topological Polar Surface Area: 77.800 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 135.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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

Referencias

1. Haolin Zhang, Shiye Lin, Ruiwei Xie, Weizhi Zhong, Hui Wang, Mohamed A. Farag, Hidayat Hussain, Randolph R.J. Arroo, Xiaojia Chen, Jianbo Xiao.  (2023)  Thermal degradation of (2R, 3R)-dihydromyricetin in neutral aqueous solution at 100 ℃.  FOOD CHEMISTRY,      [PMID:37793280] [10.1016/j.foodchem.2023.137560]

2. Yu Wang, Cheng Zheng, Ye Wu, Bo Zhang, Cheng Hu, Chuan Guo, Qingquan Kong, Yunbing Wang.  (2022)  An injectable and self-strengthening nanogel encapsuled hydrogel gene delivery system promotes degenerative nucleus pulposus repair.  COMPOSITES PART B-ENGINEERING,      [PMID:] [10.1016/j.compositesb.2022.110469]

3. Mengmeng Zhang, Qian Sun, Yuejiao Wang, Weijun Shan, Zhenning Lou, Ying Xiong.  (2021)  Synthesis of porous UiO-66-NH2-based mixed matrix membranes with high stability, flux and separation selectivity for Ga(III).  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2021.129748]

4. Yu Du, Yaqi Xu, Jiongrui Hou, Xueling Li, Jing Yang, Jingqin Yang, Shaoyun Shan, Chengxiao Wang, Hongying Su.  (2025)  Robust fabrication of pyrogallol-conjugated dextran hydrogel as antioxidant hemo-adsorbent for the selective adsorption of Pb(II).  SEPARATION AND PURIFICATION TECHNOLOGY,      [PMID:] [10.1016/j.seppur.2025.132098]

5. Pei Mingliang, Guan Xin, Hou Xiaodong, Niu Zhiyuan, Lyu Qi, Wang Kai, Wang Shanshan, Zhang Jingkai, Ke Yun, Zhuang Shuting, Chen Jie, Xu Huixiong, Yang Fan.  (2025)  A GSH-consuming polymeric nanoparticles drives ferroptosis amplification and combines chemotherapy to amplify breast cancer treatment.  JOURNAL OF NANOBIOTECHNOLOGY,  23  (1): (1-21).  [PMID:40634983] [10.1186/s12951-025-03569-7]

6. Mengyu Yang, Pengyuan Liu, Pei Cheng, Chenghao Li, Jingmei Liu, Haifeng Sun, Fangxia Guan, Minghao Yao.  (2025)  Naturally derived hydrogel with antioxidant, angiogenesis and photothermal effect to accelerate infected diabetic wound healing and reduce scar formation.  Theranostics,  15  (18): (9838).  [PMID:41041060] [10.7150/thno.117179]