SBFI-AM - 5 mM in DMSO , CAS No.129423-53-6

CAS: 129423-53-6 Cat. No.: S1509155 分子式: C₅₆H₅₈N₂O₂₃ 分子量: 1127.06

GRADE & PURITY 5 mM in DMSO

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

概要

Na⁺ fluorescent probe

Specifications

仕様と純度

5 mM in DMSO

保管条件

Protected from light,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。

製品の性質

• 励起および放出範囲: λex 389 nm,λem 580 nm in 0.1 M phosphate pH 7.0

名前と識別子

• カノニカル・スマイル: CC(=O)OCOC(=O)C1=CC(=C(C=C1)C2=CC3=CC(=C(C=C3O2)N4CCOCCN(CCOCCOCC4)C5=C(C=C6C=C(OC6=C5)C7=C(C=C(C=C7)C(=O)OCOC(=O)C)C(=O)OCOC(=O)C)OC)OC)C(=O)OCOC(=O)C
• IUPAC Name: bis(acetyloxymethyl) 4-[6-[13-[2-[2,4-bis(acetyloxymethoxycarbonyl)phenyl]-5-methoxy-1-benzofuran-6-yl]-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]-5-methoxy-1-benzofuran-2-yl]benzene-1,3-dicarboxylate
• InChIKey: MWUYLQGOGOLRQS-UHFFFAOYSA-N
• INCHI: 1S/C56H58N2O23/c1-33(59)72-29-76-53(63)37-7-9-41(43(21-37)55(65)78-31-74-35(3)61)49-23-39-25-51(67-5)45(27-47(39)80-49)57-11-15-69-16-12-58(14-18-71-20-19-70-17-13-57)46-28-48-40(26-52(46)68-6)24-50(81-48)42-10-8-38(54(64)77-30-73-34(2)60)22-44(42)56(66)79-32-75-36(4)62/h7-10,21-28H,11-20,29-32H2,1-6H3
• 異性体SMILES: CC(=O)OCOC(=O)C1=CC(=C(C=C1)C2=CC3=CC(=C(C=C3O2)N4CCOCCN(CCOCCOCC4)C5=C(C=C6C=C(OC6=C5)C7=C(C=C(C=C7)C(=O)OCOC(=O)C)C(=O)OCOC(=O)C)OC)OC)C(=O)OCOC(=O)C
• 分子量: 1127.06

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • 分類 2-arylbenzofuran flavonoids

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• 分類: 2-arylbenzofuran flavonoids
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: 2-arylbenzofuran flavonoids
• Alternative Parents: 2-phenylbenzofurans m-Phthalate esters M-phthalic acid and derivatives Benzoic acid esters Methoxyanilines Anisoles Dialkylarylamines Benzoyl derivatives Alkyl aryl ethers Heteroaromatic compounds Furans Amino acids and derivatives Carboxylic acid esters Oxacyclic compounds Acetals Azacyclic compounds Dialkyl ethers Hydrocarbon derivatives Organopnictogen compounds Organic oxides Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 2-arylbenzofuran flavonoid - 2-phenylbenzofuran - Phenylbenzofuran - Meta-phthalic acid ester - Phthalate ester - Meta_phthalic_acid - Benzoate ester - Benzofuran - Benzoic acid or derivatives - Methoxyaniline - Dialkylarylamine - Anisole - Tertiary aliphatic/aromatic amine - Benzoyl - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Furan - Amino acid or derivatives - Tertiary amine - Carboxylic acid ester - Ether - Dialkyl ether - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Oxacycle - Acetal - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Amine - Organooxygen compound - Organopnictogen compound - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as 2-arylbenzofuran flavonoids. These are phenylpropanoids containing the 2-phenylbenzofuran 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

化学的性質と物理的性質

• 溶解度: Insoluble in water
• 分子量: 1127.100 g/mol
• XLogP3: 6.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 25
• Rotatable Bond Count: 26
• Exact Mass: 1126.34 Da
• Monoisotopic Mass: 1126.34 Da
• Topological Polar Surface Area: 289.000 Ų
• Heavy Atom Count: 81
• Formal Charge: 0
• Complexity: 1960.000
• 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

よくある質問

How should this product be stored?

Store at ?20 °C, protected from light. The material is light-sensitive — keep it in its original opaque or amber container.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 129423-53-6, the molecular formula is C56H58N2O23, and the molecular weight is 1127.06 g/mol. InChIKey MWUYLQGOGOLRQS-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.