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2'-Deoxynebularine - ≥98% , CAS No.4546-68-3

2'-Deoxynebularine - ≥98% , CAS No.4546-68-3

Name: 2'-Deoxynebularine - ≥98% , CAS No.4546-68-3
SKU: D1255072
Availability: InStock

CAS: 4546-68-3 Cat. No.: D1255072 PubChem CID: 65148

COA

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GRADE & PURITY ≥98%

Storage

Room temperature

Specifications Namen und Kennungen Documentation Advanced Data Taxonomic Classification 3D-Struktur Zertifikate (CoA, COO, BSE/TSE und Analyse-Diagramm) Chemische und physikalische Eigenschaften Lösungsrechner Bewertungen

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Why this grade

≥98% 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

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Reinheit

≥98%

Namen und Kennungen

Kanonisches Lächeln	C1C(C(OC1N2C=NC3=CN=CN=C32)CO)O
IUPAC Name	(2R,3S,5R)-2-(hydroxymethyl)-5-purin-9-yloxolan-3-ol
InChIKey	WJBNIBFTNGZFBW-DJLDLDEBSA-N
INCHI	1S/C10H12N4O3/c15-3-8-7(16)1-9(17-8)14-5-13-6-2-11-4-12-10(6)14/h2,4-5,7-9,15-16H,1,3H2/t7-,8+,9+/m0/s1
Isomere SMILES	C1[C@@H]([C@H](O[C@H]1N2C=NC3=CN=CN=C32)CO)O
Alternative CAS-Nummer	4546-68-3
PubChem CID	65148
MeSH-Eintrag	2'-deoxynebularine;9-(beta-D-2'-deoxyribofuranosyl)purine

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
  - Klasse Purine nucleosides
    - Subclass Purine 2'-deoxyribonucleosides

Kingdom	Organic compounds
Superclass	Nucleosides, nucleotides, and analogues
Klasse	Purine nucleosides
Subclass	Purine 2'-deoxyribonucleosides
Intermediate Tree Nodes	Not available
Direct Parent	Purine 2'-deoxyribonucleosides
Alternative Parents	Purines and purine derivatives Pyrimidines and pyrimidine derivatives N-substituted imidazoles Tetrahydrofurans Heteroaromatic compounds Secondary alcohols Oxacyclic compounds Azacyclic compounds Primary alcohols Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Purine 2'-deoxyribonucleoside - Imidazopyrimidine - Purine - N-substituted imidazole - Pyrimidine - Tetrahydrofuran - Heteroaromatic compound - Azole - Imidazole - Secondary alcohol - Oxacycle - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Organonitrogen compound - Alcohol - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Aromatic heteropolycyclic compound
Beschreibung	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	purine 2'-deoxyribonucleoside
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-Struktur

Zertifikate (CoA, COO, BSE/TSE und Analyse-Diagramm)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemische und physikalische Eigenschaften

Molekulargewicht	236.230 g/mol
XLogP3	-0.900
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Exact Mass	236.091 Da
Monoisotopic Mass	236.091 Da
Topological Polar Surface Area	93.300 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	280.000
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

Lösungsrechner

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