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2-Deoxyadenosine-[5-13C] Monohydrate

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General Information
Catalog: BLP-010376
CAS: 478510-77-9
Molecular Formula: C9[13C]H13N5O3.H2O
Molecular Weight: 270.25

Chemical Structure

Description	2-Deoxyadenosine-[5-13C] Monohydrate is the labelled analogue of 2'-Deoxyadenosine Monohydrate, which is used in the synthesis of 5'-modified 2'-deoxyadenosine analogues as anti-hepatitis C virus agents.
Synonyms	2-Deoxyadenosine H2O (ribose-5-13C); 2'-deoxyadenosine-5'-13C monohydrate; [5'-13C]2'-deoxyadenosine 1-hydrate; 2'-Deoxy-β-D-adenosine-5'-13C Monohydrate; 9-(2-Deoxy-β-D-erythro-pentofuranosyl)-9H-purin-6-amine-5'-13C Hydrate; Adenine Deoxyribonucleoside-5'-13C Hydrate; NSC 83258-5'-13C
IUPAC Name	(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxy(1-13C)methyl)oxolan-3-ol;hydrate
Related CAS	16373-93-6 (unlabelled) 958-09-8 (unlabelled anhydrate)
Canonical SMILES	C1C(C(OC1N2C=NC3=C(N=CN=C32)N)CO)O.O
InChI	InChI=1S/C10H13N5O3.H2O/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(17)6(2-16)18-7;/h3-7,16-17H,1-2H2,(H2,11,12,13);1H2/t5-,6+,7+;/m0./s1/i2+1;
InChI Key	WZJWHIMNXWKNTO-JAXFXGRRSA-N
Purity	95%; ≥99% atom 13C
Solubility	Slightly soluble in DMSO, Methanol
Appearance	White to Off-white Solid
Storage	Store at 2-8°C