2,2'-O-Cyclouridine - ≥99% , CAS No.3736-77-4

CAS: 3736-77-4 Cat. No.: C101432 分子式: C₉H₁₀N₂O₅ 分子量: 226.19 Beilstein Registry Number: 27(3/4)8885 EC番号: 223-107-6

GRADE & PURITY ≥99%

Synonyms

(2R,3R,3aS,9aR)-3-hydroxy-2-(hydroxymethyl)-2,3,3a,9a-tetrahydro-6H-furo[2',3':4,5]oxazolo[3,2-a]pyrimidin-6-one | Anhydrouridine; 2,2'-ANHYDROURIDINE; CYCLOURIDINE | BP-58603 | N9APX1AAR4 | 2, 2'-Anhydrouridine | (2R,3R,3aS,9aR)-2,3,3a,9a-Tetrahydro-3-hy

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

同義語

(2R,3R,3aS,9aR)-3-hydroxy-2-(hydroxymethyl)-2,3,3a,9a-tetrahydro-6H-furo[2',3':4,5]oxazolo[3,2-a]pyrimidin-6-one | Anhydrouridine; 2,2'-ANHYDROURIDINE; CYCLOURIDINE | BP-58603 | N9APX1AAR4 | 2, 2'-Anhydrouridine | (2R,3R,3aS,9aR)-2,3,3a,9a-Tetrahydro-3-hy

仕様と純度

≥99%

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。

純度

≥99%

名前と識別子

• パブケム・シド: 504760178
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/504760178
• カノニカル・スマイル: C1=CN2C3C(C(C(O3)CO)O)OC2=NC1=O
• IUPAC Name: (2R,4R,5R,6S)-5-hydroxy-4-(hydroxymethyl)-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-10-one
• InChIKey: UUGITDASWNOAGG-CCXZUQQUSA-N
• INCHI: 1S/C9H10N2O5/c12-3-4-6(14)7-8(15-4)11-2-1-5(13)10-9(11)16-7/h1-2,4,6-8,12,14H,3H2/t4-,6-,7+,8-/m1/s1
• 異性体SMILES: C1=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)OC2=NC1=O
• WGKドイツ: 3
• 分子量: 226.19
• Beilstein: 27(3/4)8885
• Reaxy-Rn: 251127
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=251127&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Diazines
      • Subclass Pyrimidines and pyrimidine derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Diazines
• Subclass: Pyrimidines and pyrimidine derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrimidones
• Alternative Parents: Alkyl aryl ethers Monosaccharides Vinylogous amides Tetrahydrofurans Heteroaromatic compounds Secondary alcohols Oxacyclic compounds Azacyclic compounds Primary alcohols Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alkyl aryl ether - Pyrimidone - Monosaccharide - Heteroaromatic compound - Vinylogous amide - Tetrahydrofuran - Secondary alcohol - Ether - Oxacycle - Azacycle - Alcohol - Hydrocarbon derivative - Organic oxide - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as pyrimidones. These are compounds that contain a pyrimidine ring, which bears a ketone. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
• 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

作用メカニズム

化学的性質と物理的性質

• 感度: Heat Sensitive
• 比旋光度［α］: -20 ° (C=4, H2O)
• 融点（°C）: 244°C
• 分子量: 226.190 g/mol
• XLogP3: -2.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 226.059 Da
• Monoisotopic Mass: 226.059 Da
• Topological Polar Surface Area: 91.600 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 393.000
• 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

よくある質問

What is the purity of this product?

This product is supplied at ≥99% 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 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.