Sonedenoson , CAS No.131865-88-8

CAS: 131865-88-8 Cat. No.: S1357637 분자식: C₁₈H₂₀ClN₅O₅ 분자량: 421.83 PubChem CID: 9910098

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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제품 특성

• ALogP: 1.8

이름과 식별자

• 정식 스마일: C1=CC(=CC=C1CCOC2=NC(=C3C(=N2)N(C=N3)C4C(C(C(O4)CO)O)O)N)Cl
• IUPAC Name: (2R,3R,4S,5R)-2-[6-amino-2-[2-(4-chlorophenyl)ethoxy]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
• InChIKey: WUCQGGOGHZRELS-LSCFUAHRSA-N
• INCHI: 1S/C18H20ClN5O5/c19-10-3-1-9(2-4-10)5-6-28-18-22-15(20)12-16(23-18)24(8-21-12)17-14(27)13(26)11(7-25)29-17/h1-4,8,11,13-14,17,25-27H,5-7H2,(H2,20,22,23)/t11-,13-,14-,17-/m1/s1
• 이성체 SMILES: C1=CC(=CC=C1CCOC2=NC(=C3C(=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)N)Cl
• PubChem CID: 9910098
• 분자량: 421.83

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Nucleosides, nucleotides, and analogues
    • 분류 Purine nucleosides

• Kingdom: Organic compounds
• Superclass: Nucleosides, nucleotides, and analogues
• 분류: Purine nucleosides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Purine nucleosides
• Alternative Parents: Glycosylamines 6-aminopurines Pentoses Alkyl aryl ethers Aminopyrimidines and derivatives Chlorobenzenes Aryl chlorides N-substituted imidazoles Imidolactams Oxolanes Heteroaromatic compounds Secondary alcohols Oxacyclic compounds Azacyclic compounds Organochlorides Primary alcohols Primary amines Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Purine nucleoside - N-glycosyl compound - Glycosyl compound - 6-aminopurine - Pentose monosaccharide - Imidazopyrimidine - Purine - Chlorobenzene - Aminopyrimidine - Alkyl aryl ether - Halobenzene - Imidolactam - Benzenoid - Monocyclic benzene moiety - Pyrimidine - N-substituted imidazole - Aryl chloride - Monosaccharide - Aryl halide - Heteroaromatic compound - Oxolane - Imidazole - Azole - Secondary alcohol - Ether - Organoheterocyclic compound - Azacycle - Oxacycle - Organochloride - Organonitrogen compound - Organooxygen compound - Primary alcohol - Primary amine - Organic nitrogen compound - Hydrocarbon derivative - Amine - Organic oxygen compound - Alcohol - Organohalogen compound - Aromatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as purine nucleosides. These are compounds comprising a purine base attached to a ribosyl or deoxyribosyl 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

화학 및 물리적 특성

• 분자량: 421.800 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 6
• Exact Mass: 421.115 Da
• Monoisotopic Mass: 421.115 Da
• Topological Polar Surface Area: 149.000 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 543.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 4
• 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. 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 131865-88-8, the molecular formula is C18H20ClN5O5, and the molecular weight is 421.83 g/mol. InChIKey WUCQGGOGHZRELS-LSCFUAHRSA-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.