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N6-Benzoyl-2′-deoxyadenosine hydrate - 98%, high purity , CAS No.206752-42-3

COA

Grade & Purity:

≥98%

Cas Number: 206752-42-3
Molecular Weight: 355.35
MDL number: MFCD00149575
PubChem CID: 16211731
PubChem SID: 488199120

In stock

Item Number

B122954

Grouped product items
SKU	Size	Availability	Price
B122954-250mg	250mg	3	$110.90
B122954-1g	1g	4	$341.90
B122954-5g	5g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$1,534.90

View related series

Pyrimidines (539) Six-Membered Heterocyclic Compounds (1696)

Basic Description

Synonyms	N6-Benzoyl-2'-fluoro-2'-deoxyadenosine
Specifications & Purity	≥98%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Nucleosides, nucleotides, and analogues
Class	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 Benzene and substituted derivatives Tetrahydrofurans Heteroaromatic compounds Secondary alcohols Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Carboximidic acids Azacyclic compounds Primary alcohols Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Purine 2'-deoxyribonucleoside - Purine - Imidazopyrimidine - Benzenoid - Pyrimidine - N-substituted imidazole - Monocyclic benzene moiety - Heteroaromatic compound - Tetrahydrofuran - Imidazole - Azole - Secondary alcohol - Oxacycle - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidic acid derivative - Carboximidic acid - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Organonitrogen compound - Alcohol - Aromatic heteropolycyclic compound
Description	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
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

Names and Identifiers

Pubchem Sid	488199120
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488199120
IUPAC Name	N-[9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]benzamide;hydrate
INCHI	InChI=1S/C17H17N5O4.H2O/c23-7-12-11(24)6-13(26-12)22-9-20-14-15(18-8-19-16(14)22)21-17(25)10-4-2-1-3-5-10;/h1-5,8-9,11-13,23-24H,6-7H2,(H,18,19,21,25);1H2/t11-,12+,13+;/m0./s1
InChIKey	WRMYMWRRSSDKIJ-LUHWTZLKSA-N
Smiles	C1C(C(OC1N2C=NC3=C(N=CN=C32)NC(=O)C4=CC=CC=C4)CO)O.O
Isomeric SMILES	C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)NC(=O)C4=CC=CC=C4)CO)O.O
WGK Germany	3
Alternate CAS	4546-72-9；305808-19-9
PubChem CID	16211731
Molecular Weight	355.35
Reaxy-Rn	631843

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

3 results found

Lot Number	Certificate Type	Date	Item
I1626052	Certificate of Analysis	May 09, 2024	B122954
C2314123	Certificate of Analysis	Apr 08, 2023	B122954
C2314119	Certificate of Analysis	Mar 21, 2023	B122954

Chemical and Physical Properties

Molecular Weight	373.400 g/mol
XLogP3
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	4
Exact Mass	373.139 Da
Monoisotopic Mass	373.139 Da
Topological Polar Surface Area	123.000 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	504.000
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	2

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