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

CAS: 1334177-78-4 Cat. No.: B486632 分子式: C₂₆H₂₄F₁₀O₉ 分子量: 670.45

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Application

227,228,229

仕様

法的情報

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

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

名前と識別子

カノニカル・スマイル

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

異性体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

分子量

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
    • 分類 Phenol esters

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 分子量: 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