Chem
J-GLOBAL ID:200907049900420330   Nikkaji number:J448.595E

1-[(1,2,3,4-Tetrahydro-2,4-dioxo-5-methylpyrimidin)-1-yl]-3-azido-1,2,3,6-tetradeoxy-β-D-allofuranose 5-triphosphoric acid

1-[(1,2,3,4-テトラヒドロ-2,4-ジオキソ-5-メチルピリミジン)-1-イル]-3-アジド-1,2,3,6-テトラデオキシ-β-D-アロフラノース5-三りん酸
Substance type:
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula: C11H18N3[N-][N+]O13P3
Molecular formula furigana: C11-H18-N5-O13-P3
Molecular weight: 521.207
InChI: InChI=1S/C11H18N5O13P3/c1-5-4-16(11(18)13-10(5)17)8-3-7(14-15-12)9(26-8)6(2)27-31(22,23)29-32(24,25)28-30(19,20)21/h4,6-9H,3H2,1-2H3,(H,22,23)(H,24,25)(H,13,17,18)(H2,19,20,21)/t6-,7+,8-,9-/m1/s1
InChI key: LAWGYUWSRWFVRS-BZNPZCIMSA-N
SMILES: C[C@@H](OP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@H]1O[C@H](C[C@@H]1N=[N+]=[N-])n1cc(C)c(=O)[nH]c1=O
Systematic name  (3):
  • 1-[(1,2,3,4-テトラヒドロ-2,4-ジオキソ-5-メチルピリミジン)-1-イル]-3-アジド-1,2,3,6-テトラデオキシ-β-D-アロフラノース5-三りん酸
  • {[({[(1R)-1-[(2S,3S,5R)-3-アジド-5-(5-メチル-2,4-ジオキソ-1,2,3,4-テトラヒドロピリミジン-1-イル)オキソラン-2-イル]エトキシ](ヒドロキシ)ホスホリル}オキシ)(ヒドロキシ)ホスホリル]オキシ}ホスホン酸
  • {[({[(1R)-1-[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-2-yl]ethoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]oxy}phosphonic acid
Other name (1):
  • 1-[(1,2,3,4-Tetrahydro-2,4-dioxo-5-methylpyrimidin)-1-yl]-3-azido-1,2,3,6-tetradeoxy-β-D-allofuranose 5-triphosphoric acid
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