Products 180300-54-3

CAS 180300-54-3 is the registry number for 3’-β-C-Ethynyladenosine. Offered by: MedChemExpress. Available pack sizes: Get quote.

3’-β-C-Ethynyladenosine
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Structural formula: {0} (CAS {1})

(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3-ethynyl-2-(hydroxymethyl)oxolane-3,4-diol (CAS 180300-54-3) is a chemical compound with the molecular formula C12H13N5O4 and a molecular weight of 291.26 g/mol. IUPAC name: (2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3-ethynyl-2-(hydroxymethyl)oxolane-3,4-diol. InChIKey: VVIJADJDBPHCKC-WHNOBIIHSA-N.

Identity
Molecular formulaC12H13N5O4
Molecular weight291.26 g/mol
IUPAC name(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3-ethynyl-2-(hydroxymethyl)oxolane-3,4-diol
InChIKeyVVIJADJDBPHCKC-WHNOBIIHSA-N
SMILESC#C[C@]1([C@H](O[C@H]([C@@H]1O)N2C=NC3=C(N=CN=C32)N)CO)O

Computed by PubChem (NCBI)

Synonyms: (2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3-ethynyl-2-(hydroxymethyl)oxolane-3,4-diol, 3'-c-ethynyladenosine, 3'-C-ethynyl-Adenosine, 3a?I(2)-C-Ethynyladenosine, orb1908516
Isomers (same molecular formula)
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-imidazo[2,1-f]purin-3-yloxolane-3,4-diol C12H13N5O4
2-[[[2-(methoxymethyl)-1,2,4-triazol-3-yl]amino]carbamoyl]benzoic acid C12H13N5O4
(2R,3R,4S,5R)-2-(5-deuterio-4-imino-1H-pyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,4-dihydroxy-5-(hydroxymethyl)oxolane-2-carbonitrile C12H13N5O4
(2R,3R,4R,5R)-2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,4-dihydroxy-5-(hydroxymethyl)oxolane-2-carbonitrile C12H13N5O4
(2S,3R,4S,5R)-2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,4-dihydroxy-5-(hydroxymethyl)oxolane-2-carbonitrile C12H13N5O4
(2R,3R,4S,5R)-2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,4-dihydroxy-5-(hydroxymethyl)oxolane-2-carbonitrile C12H13N5O4
1-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5H-imidazo[2,1-b]purin-4-one C12H13N5O4
4-amino-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile C12H13N5O4
methyl N-[5-(3,6-dihydro-2H-pyridin-1-yl)-2-oxo-[1,2,4]oxadiazolo[2,3-a]pyrimidin-7-yl]carbamate C12H13N5O4
3-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4H-imidazo[1,2-a]purin-9-one C12H13N5O4
(2R,3R,4S,5R)-2-(6-amino-2-ethynylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol C12H13N5O4
2-amino-7-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile C12H13N5O4

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