Bis-dPEG®₅-PFP ester , CAS No.1334177-78-4

CAS: 1334177-78-4 Cat. No.: B486632 분자식: C₂₆H₂₄F₁₀O₉ 분자량: 670.45

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Application

227,228,229

Specifications

법률 정보

Products Protected under U.S. Patents # 7,888,536 B2dPEG is a registered trademark of Quanta BioDesign

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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이름과 식별자

• 정식 스마일: C(COCCOCCOCCOCCOCCC(=O)OC1=C(C(=C(C(=C1F)F)F)F)F)C(=O)OC2=C(C(=C(C(=C2F)F)F)F)F
• IUPAC Name: (2,3,4,5,6-pentafluorophenyl) 3-[2-[2-[2-[2-[3-oxo-3-(2,3,4,5,6-pentafluorophenoxy)propoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
• InChIKey: PVXXABBOISIWMS-UHFFFAOYSA-N
• INCHI: 1S/C26H24F10O9/c27-15-17(29)21(33)25(22(34)18(15)30)44-13(37)1-3-39-5-7-41-9-11-43-12-10-42-8-6-40-4-2-14(38)45-26-23(35)19(31)16(28)20(32)24(26)36/h1-12H2
• 이성체 SMILES: C(COCCOCCOCCOCCOCCC(=O)OC1=C(C(=C(C(=C1F)F)F)F)F)C(=O)OC2=C(C(=C(C(=C2F)F)F)F)F
• 분자량: 670.45
• Reaxy-Rn: 37847161
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=37847161&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Phenol esters

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Phenol esters
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol esters
• Alternative Parents: Phenoxy compounds Fluorobenzenes Dicarboxylic acids and derivatives Aryl fluorides Carboxylic acid esters Dialkyl ethers Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenol ester - Phenoxy compound - Fluorobenzene - Halobenzene - Aryl fluoride - Dicarboxylic acid or derivatives - Monocyclic benzene moiety - Aryl halide - Carboxylic acid ester - Ether - Dialkyl ether - Carboxylic acid derivative - Organic oxygen compound - Organooxygen compound - Organofluoride - Organohalogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as phenol esters. These are aromatic compounds containing a benzene ring substituted by a hydroxyl group and an ester group.
• 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

화학 및 물리적 특성

• 분자량: 670.400 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 19
• Rotatable Bond Count: 22
• Exact Mass: 670.126 Da
• Monoisotopic Mass: 670.126 Da
• Topological Polar Surface Area: 98.800 Ų
• Heavy Atom Count: 45
• Formal Charge: 0
• Complexity: 770.000
• 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