2'-Deoxy-2-methoxyadenosine , CAS No.24757-70-8

CAS: 24757-70-8 Cat. No.: D1327601 EC 번호: 111-006-9 PubChem CID: 10265713

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

이 제품은 콜드 체인 배송이 필요합니다.지상 및 기타 경제 서비스는 사용할 수 없습니다.

이름과 식별자

• 정식 스마일: COC1=NC(=C2C(=N1)N(C=N2)C3CC(C(O3)CO)O)N
• IUPAC Name: (2R,3S,5R)-5-(6-amino-2-methoxypurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
• InChIKey: HGRICISHTIAZJG-RRKCRQDMSA-N
• INCHI: 1S/C11H15N5O4/c1-19-11-14-9(12)8-10(15-11)16(4-13-8)7-2-5(18)6(3-17)20-7/h4-7,17-18H,2-3H2,1H3,(H2,12,14,15)/t5-,6+,7+/m0/s1
• 이성체 SMILES: COC1=NC(=C2C(=N1)N(C=N2)[C@H]3C[C@@H]([C@H](O3)CO)O)N
• 대체 CAS: 24757-70-8
• PubChem CID: 10265713

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Nucleosides, nucleotides, and analogues
• 분류: Purine nucleosides
• Subclass: Purine 2'-deoxyribonucleosides
• Intermediate Tree Nodes: Not available
• Direct Parent: Purine 2'-deoxyribonucleosides
• Alternative Parents: 6-aminopurines Aminopyrimidines and derivatives Alkyl aryl ethers N-substituted imidazoles Imidolactams Oxolanes Heteroaromatic compounds Secondary alcohols Oxacyclic compounds Azacyclic compounds Primary amines Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Purine 2'-deoxyribonucleoside - 6-aminopurine - Imidazopyrimidine - Purine - Alkyl aryl ether - Aminopyrimidine - Imidolactam - Pyrimidine - N-substituted imidazole - Heteroaromatic compound - Azole - Imidazole - Oxolane - Secondary alcohol - Oxacycle - Ether - Azacycle - Organoheterocyclic compound - Amine - Organic oxygen compound - Alcohol - Organic nitrogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Organooxygen compound - Primary alcohol - Aromatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as purine 2'-deoxyribonucleosides. These are compounds consisting of a purine 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: 281.270 g/mol
• XLogP3: 0.100
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 3
• Exact Mass: 281.112 Da
• Monoisotopic Mass: 281.112 Da
• Topological Polar Surface Area: 129.000 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 349.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• 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