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2,4-Dihydroxypyrimidine-2,4,5-[13C3]-5-carboxylic acid-[13C] monohydrate

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General Information
Catalog: BLP-005639
Molecular Formula: [13C]4C4CH4N2O4
Molecular Weight: 160.07 (anhydrous basis)

Chemical Structure

Description	2,4-Dihydroxypyrimidine-2,4,5-[13C3]-5-carboxylic acid-[13C] monohydrate, having typical nucleotide structure, can be used in preparation of 13C labelled nucleotide derivatives.
Synonyms	Uracil-2,4,5-13C3-5-carboxylic acid-13C monohydrate
IUPAC Name	2,4-dioxo-(2,4,5-13C3)1H-pyrimidine-5-carboxylic acid;hydrate
Related CAS	69727-34-0 (unlabelled)
Canonical SMILES	C1=C(C(=O)NC(=O)N1)C(=O)O.O
InChI	InChI=1S/C5H4N2O4.H2O/c8-3-2(4(9)10)1-6-5(11)7-3;/h1H,(H,9,10)(H2,6,7,8,11);1H2/i2+1,3+1,4+1,5+1;
InChI Key	HUMYNECKRWOZGW-QWJITLNOSA-N
Melting Point	283°C (dec)
Purity	97% by CP; 99% atom 13C
Appearance	Solid