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2-Octynyladenosine , CAS No.90596-75-1

2-Octynyladenosine , CAS No.90596-75-1

Name: 2-Octynyladenosine , CAS No.90596-75-1
SKU: O668077
Availability: InStock

CAS: 90596-75-1 Cat. No.: O668077 분자식: C₁₈H₂₅N₅O₄ 분자량: 375.4 PubChem CID: 146207

COA

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2-Octynyladenosine - CAS No(90596-75-1) by Aladdin Scientific

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주문 가능

Synonyms

Storage

Room temperature

Specifications 제품 특성 이름과 식별자 Documentation Advanced Data Taxonomic Classification 3D 구조 관련 대상(인간) 관련 대상(비인간) 작용 메커니즘 인증서(CoA, COO, BSE/TSE 및 분석 차트) 화학 및 물리적 특성 솔루션 계산기 리뷰

🧪

Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

동의어

보관 조건

Room temperature

작업 유형

AGONIST

제품 특성

ALogP	2.3

이름과 식별자

정식 스마일	CCCCCCC#CC1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)O)O)N
IUPAC Name	(2R,3R,4S,5R)-2-(6-amino-2-oct-1-ynylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
InChIKey	NVGGIHKSKVAPEY-XKLVTHTNSA-N
INCHI	1S/C18H25N5O4/c1-2-3-4-5-6-7-8-12-21-16(19)13-17(22-12)23(10-20-13)18-15(26)14(25)11(9-24)27-18/h10-11,14-15,18,24-26H,2-6,9H2,1H3,(H2,19,21,22)/t11-,14-,15-,18-/m1/s1
이성체 SMILES	CCCCCCC#CC1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N
PubChem CID	146207
분자량	375.4

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

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 Pentoses 6-aminopurines Aminopyrimidines and derivatives N-substituted imidazoles Imidolactams Tetrahydrofurans Heteroaromatic compounds Secondary alcohols Oxacyclic compounds Azacyclic compounds Primary amines Primary alcohols Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Purine nucleoside - Glycosyl compound - N-glycosyl compound - 6-aminopurine - Pentose monosaccharide - Imidazopyrimidine - Purine - Aminopyrimidine - Monosaccharide - N-substituted imidazole - Pyrimidine - Imidolactam - Tetrahydrofuran - Azole - Imidazole - Heteroaromatic compound - Secondary alcohol - Organoheterocyclic compound - Azacycle - Oxacycle - Organic oxygen compound - Organic nitrogen compound - Alcohol - Organonitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organooxygen compound - Amine - Primary alcohol - Primary amine - 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
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

3D 구조

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리뷰

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분자량	375.400 g/mol
XLogP3	2.300
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	7
Exact Mass	375.191 Da
Monoisotopic Mass	375.191 Da
Topological Polar Surface Area	140.000 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	552.000
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