Atributos calculados

• Calidad precisa: 290.27g/mol
• Carga superficial: 0
• XLogP3: 0.4
• Recuento de donantes vinculados al hidrógeno: 5
• Recuento de receptores de enlace de hidrógeno: 6
• Cuenta de enlace giratorio: 1
• Masa isotópica única: 290.079038g/mol
• Masa isotópica única: 290.079038g/mol
• Superficie del Polo topológico: 110Ų
• Recuento de átomos pesados: 21
• Complejidad: 364
• Recuento atómico isotópico: 0
• Recuento del Centro estereoscópico atómico definido: 2
• Recuento de centros estereoscópicos atómicos indefinidos: 0
• Recuento de centros tridimensionales de bonos fijos: 0
• Conteo indefinido de centros tridimensionales de Bond: 0
• Recuento de unidades de unión covalente: 1
• Superficie del Polo topológico: 110
• Cuenta de receptores 3D funcionales: 2
• Cuenta de enlace giratorio: 1.8
• Rmsd heterogénea: 0.6
• Recuento de isómeros conformacionales Cid: 12
• Recuento funcional de donantes 3D: 5
• Recuento de constructos de variantes mutuas: 90
• Recuento de anillos tridimensionales funcionales: 3
• Carga superficial: 0

Propiedades experimentales

• Logp: 1.54610
• PSA: 110.38000
• Merck: 14,1902
• índice de refracción: 1.4359 (estimate)
• Punto de ebullición: 630.4℃ at 760 mmHg
• Punto de inflamación: 334.3
• Disolución: 6.311e+004 mg/L @ 25 °C (est)
• Color / forma: White to yellow powder or irregular crystals
• Disolución: Slightly soluble in cold water and ether, soluble in hot water, ethanol, glacial acetic acid and acetone, insoluble in benzene, chloroform and petroleum ether
• Rotación específica: D18 +16 to +18.4°
• Denso: 1.2451 (rough estimate)
• Presión de vapor: 9.29E-17mmHg at 25°C

• Rtecs：DJ3450000
• Wgk Alemania：3
• Instrucciones de Seguridad：S26; S36
• Términos de riesgo：R36/37/38
• Signo de mercancías peligrosas： Xi
• Número de transporte de mercancías peligrosas：NONH for all modes of transport
• Condiciones de almacenamiento：Powder -20°C 3 years   4°C 2 years In solvent -80°C 6 months   -20°C 1 month
• Código de categoría de peligro：R36/37/38: irritating to eyes, respiratory tract and skin
• Código F de la marca fuka：8-10-23

• Código HS：29329990
• Datos Aduaneros：

  China Customs Code:

  2932999099

  Overview:

  2932999099. Other heterocyclic compounds containing only oxygen heteroatoms. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

  Declaration elements:

  Product Name, component content, use to

  Summary:

  2932999099. other heterocyclic compounds with oxygen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

• 1. A new chiral, poly-imidazole N8-ligand and the related di- and tri-copper(ii) complexes: synthesis, theoretical modelling, spectroscopic properties, and biomimetic stereoselective oxidations Francesco G. Mutti,Michele Gullotti,Luigi Casella,Laura Santagostini,Roberto Pagliarin,K. Kristoffer Andersson,Maria Francesca Iozzi,Giorgio Zoppellaro Dalton Trans. 2011 40 5436
• 2. 93. The transformation of d-catechin into cyanidin chloride Herbert Appel,Robert Robinson J. Chem. Soc. 1935 426
• 3. Organic chemistry J. Chem. Soc. Abstr. 1922 122 i709
• 4. Proton-coupled electron transfer of catechin in tea wine: the enhanced mechanism of anti-oxidative capacity Yirong Xia,Xintong Wang,Hechen Sun,Ximing Huang RSC Adv. 2021 11 39985
• 5. Intermolecular hydrogen bonds between catechin and theanine in tea: slow release of the antioxidant capacity by a synergetic effect Yirong Xia,Wei Ni,Xintong Wang,Yanyan Wang,Ximing Huang RSC Adv. 2022 12 21135
• 6. Study on the interaction of (+)-catechin with human serum albumin using isothermal titration calorimetry and spectroscopic techniques Xiangrong Li,Su Wang New J. Chem. 2015 39 386
• 7. Adsorption of galloyl catechin aggregates significantly modulates membrane mechanics in the absence of biochemical cues Takahisa Matsuzaki,Hiroaki Ito,Veronika Chevyreva,Ali Makky,Stefan Kaufmann,Kazuki Okano,Naritaka Kobayashi,Masami Suganuma,Seiichiro Nakabayashi,Hiroshi Y. Yoshikawa,Motomu Tanaka Phys. Chem. Chem. Phys. 2017 19 19937
• 8. The effect of copper(ii), iron(ii) sulphate, and vitamin C combinations on the weak antimicrobial activity of (+)-catechin against Staphylococcus aureus and other microbes Andrew C. Holloway,Irene Mueller-Harvey,Simon W. J. Gould,Mark D. Fielder,Declan P. Naughton,Alison F. Kelly Metallomics 2012 4 1280
• 9. Catechin or quercetin guests in an intrinsically microporous polyamine (PIM-EA-TB) host: accumulation, reactivity, and release Lina Wang,Richard Malpass-Evans,Mariolino Carta,Neil B. McKeown,Shaun B. Reeksting,Frank Marken RSC Adv. 2021 11 27432
• 10. Catechin as a new improving agent for a photo-Fenton-like system at near-neutral pH for the removal of inderal Zongping Wang,Yizhou Guo,Zizheng Liu,Xiaonan Feng,Yiqun Chen,Tao Tao Photochem. Photobiol. Sci. 2015 14 473

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