EGTA-AM , CAS No.99590-86-0

CAS: 99590-86-0 Cat. No.: E769840 분자식: C₂₆H₄₀N₂O₁₈ 분자량: 668.598 PubChem CID: 121907

Storage

Protected from light,Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

사양

보관 조건

Protected from light,Store at -20°C,Desiccated

배송

Ice chest + Ice pads

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이름과 식별자

정식 스마일

CC(=O)OCOC(=O)CN(CCOCCOCCN(CC(=O)OCOC(=O)C)CC(=O)OCOC(=O)C)CC(=O)OCOC(=O)C

IUPAC Name

acetyloxymethyl 2-[[2-(acetyloxymethoxy)-2-oxoethyl]-[2-[2-[2-[bis[2-(acetyloxymethoxy)-2-oxoethyl]amino]ethoxy]ethoxy]ethyl]amino]acetate

InChIKey

GNJXVFXIDHCCKR-UHFFFAOYSA-N

INCHI

1S/C26H40N2O18/c1-19(29)39-15-43-23(33)11-27(12-24(34)44-16-40-20(2)30)5-7-37-9-10-38-8-6-28(13-25(35)45-17-41-21(3)31)14-26(36)46-18-42-22(4)32/h5-18H2,1-4H3

이성체 SMILES

CC(=O)OCOC(=O)CN(CCOCCOCCN(CC(=O)OCOC(=O)C)CC(=O)OCOC(=O)C)CC(=O)OCOC(=O)C

PubChem CID

121907

분자량

668.598

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 분류 Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Alpha amino acid esters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 분류: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Alpha amino acid esters
• Alternative Parents: Acylals Trialkylamines Dialkyl ethers Acetals Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-amino acid ester - Acylal - Carboxylic acid ester - Tertiary aliphatic amine - Tertiary amine - Acetal - Dialkyl ether - Ether - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Carbonyl group - Amine - Organic oxygen compound - Aliphatic acyclic compound
• 설명: This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids.
• 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: 668.600 g/mol
• XLogP3: -0.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 20
• Rotatable Bond Count: 33
• Exact Mass: 668.228 Da
• Monoisotopic Mass: 668.228 Da
• Topological Polar Surface Area: 235.000 Ų
• Heavy Atom Count: 46
• Formal Charge: 0
• Complexity: 857.000
• 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

자주 묻는 질문

How should this product be stored?

Store at ?20 °C, protected from light, desiccated. Keep the container tightly closed with desiccant — the material is moisture-sensitive.

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 99590-86-0, the molecular formula is C26H40N2O18, and the molecular weight is 668.598 g/mol. InChIKey GNJXVFXIDHCCKR-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.