Thymectacin - ≥98% , CAS No.232925-18-7

CAS: 232925-18-7 Cat. No.: T1307805 분자식: C₂₁H₂₅BrN₃O₉P 분자량: 574.3

GRADE & PURITY ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

사양 및 순도

≥98%

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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순수함

≥98%

이름과 식별자

• 정식 스마일: C[C@@H](C(=O)OC)NP(=O)(OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)/C=C/Br)O)OC3=CC=CC=C3
• IUPAC Name: methyl (2S)-2-[[[(2R,3S,5R)-5-[5-[(E)-2-bromoethenyl]-2,4-dioxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
• InChIKey: CFBLUORPOFELCE-BACVZHSASA-N
• INCHI: 1S/C21H25BrN3O9P/c1-13(20(28)31-2)24-35(30,34-15-6-4-3-5-7-15)32-12-17-16(26)10-18(33-17)25-11-14(8-9-22)19(27)23-21(25)29/h3-9,11,13,16-18,26H,10,12H2,1-2H3,(H,24,30)(H,23,27,29)/b9-8+/t13-,16-,17+,18+,35?/m0/s1
• 분자량: 574.3

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Nucleosides, nucleotides, and analogues
    • 분류 Pyrimidine nucleosides
      • Subclass Pyrimidine 2'-deoxyribonucleosides

• Kingdom: Organic compounds
• Superclass: Nucleosides, nucleotides, and analogues
• 분류: Pyrimidine nucleosides
• Subclass: Pyrimidine 2'-deoxyribonucleosides
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrimidine 2'-deoxyribonucleosides
• Alternative Parents: Alpha amino acid esters Alanine and derivatives Phenoxy compounds Phosphoric diester monoamides Pyrimidones Hydropyrimidines Organic phosphoramides Oxolanes Heteroaromatic compounds Vinylogous amides Methyl esters Secondary alcohols Ureas Lactams Oxacyclic compounds Azacyclic compounds Bromoalkenes Vinyl bromides Monocarboxylic acids and derivatives Organobromides Hydrocarbon derivatives Organonitrogen compounds Organic oxides Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyrimidine 2'-deoxyribonucleoside - Alpha-amino acid ester - Alanine or derivatives - Alpha-amino acid or derivatives - Phenoxy compound - Phosphoric diester monoamide - Pyrimidone - Monocyclic benzene moiety - Pyrimidine - Hydropyrimidine - Organic phosphoric acid derivative - Benzenoid - Phosphoric acid ester - Organic phosphoric acid amide - Heteroaromatic compound - Methyl ester - Oxolane - Vinylogous amide - Lactam - Secondary alcohol - Urea - Carboxylic acid ester - Carboxylic acid derivative - Oxacycle - Azacycle - Monocarboxylic acid or derivatives - Bromoalkene - Haloalkene - Organoheterocyclic compound - Vinyl halide - Vinyl bromide - Organic oxygen compound - Organohalogen compound - Organic oxide - Organobromide - Organonitrogen compound - Organooxygen compound - Carbonyl group - Alcohol - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteromonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as pyrimidine 2'-deoxyribonucleosides. These are compounds consisting of a pyrimidine linked to a ribose which lacks a hydroxyl group at position 2.
• 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: 574.300 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 11
• Exact Mass: 573.051 Da
• Monoisotopic Mass: 573.051 Da
• Topological Polar Surface Area: 153.000 Ų
• Heavy Atom Count: 35
• Formal Charge: 0
• Complexity: 908.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 4
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1

자주 묻는 질문

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

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 232925-18-7, the molecular formula is C21H25BrN3O9P, and the molecular weight is 574.3 g/mol. InChIKey CFBLUORPOFELCE-BACVZHSASA-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.