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2'-Deoxyadenosine-[13C5] Monohydrate

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General Information
Catalog: BLP-013161
CAS: 478510-79-1
Molecular Formula: C5[13C]5H15N5O4
Molecular Weight: 274.22

Chemical Structure

Description	2'-Deoxyadenosine-[13C5] 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'-Deoxy-β-D-adenosine-13C5 Monohydrate; 9-(2-Deoxy-β-D-erythro-pentofuranosyl)adenine-13C5; 9-(2-Deoxy-β-D-erythro-pentofuranosyl)-9H-purin-6-amine-13C5 Hydrate; Adenine Deoxyribonucleoside-13C5 Hydrate; Adenine Deoxyribose-13C5 Hydrate; Adenyldeoxyriboside-13C5 Hydrate; Deoxyadenosine-13C5 Hydrate; Desoxyadenosine-13C5 Hydrate; NSC 141848; NSC 143510; NSC 83258; dA; 1-(6-Amino-9H-purin-9-yl)-1,2-dideoxy-β-D-ribofuranose-13C5 Hydrate; 2-Deoxyadenine-9-β-D-erythro-pento-furanoside-13C5 Hydrate
IUPAC Name	(2R,3R,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)(2,3,4,5-13C4)oxolan-3-ol;hydrate
Related CAS	958-09-8 (unlabelled)
Canonical SMILES	C1C(C(OC1N2C=NC3=C2N=CN=C3N)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-;/m1./s1/i1+1,5+1,6+1,7+1;
InChI Key	WZJWHIMNXWKNTO-PEBSFZIHSA-N
Melting Point	188-191°C
Purity	98%; 98.7% atom 13C
Solubility	Soluble in Methanol (Slightly), Water (Slightly, Heated)
Appearance	White to Off-white Solid
Application	Used in the synthesis of labelled 5'-modified 2'-deoxyadenosine analogues as anti-hepatitis C virus agents.