Chem
J-GLOBAL ID：200907031148466095   Nikkaji number：J2.401.232H

1-[2-Amino-4(3H)-oxo-5-(formylamino)pyrimidine-6-ylmethyl]-1,2-dideoxy-β-D-ribofuranose 5-triphosphoric acid

1-[2-アミノ-4(3H)-オキソ-5-(ホルミルアミノ)ピリミジン-6-イルメチル]-1,2-ジデオキシ-β-D-リボフラノース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： C11H19N4O14P3
Molecular formula furigana： C11-H19-N4-O14-P3
Molecular weight： 524.207
InChI： InChI=1S/C11H19N4O14P3/c12-11-14-6(9(13-4-16)10(18)15-11)1-5-2-7(17)8(27-5)3-26-31(22,23)29-32(24,25)28-30(19,20)21/h4-5,7-8,17H,1-3H2,(H,13,16)(H,22,23)(H,24,25)(H2,19,20,21)(H3,12,14,15,18)/t5-,7-,8+/m0/s1
InChI key： SEYTZONDTLWHRH-APQOSEDMSA-N
SMILES： Nc1nc(C[C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c(NC=O)c(=O)[nH]1
Systematic name  (3)：
  • 1-[2-アミノ-4(3H)-オキソ-5-(ホルミルアミノ)ピリミジン-6-イルメチル]-1,2-ジデオキシ-β-D-リボフラノース5-三りん酸
  • ({[({[(2R,3S,5S)-5-[(2-アミノ-5-ホルムアミド-6-オキソ-1,6-ジヒドロピリミジン-4-イル)メチル]-3-ヒドロキシオキソラン-2-イル]メトキシ}(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
  • ({[({[(2R,3S,5S)-5-[(2-amino-5-formamido-6-oxo-1,6-dihydropyrimidin-4-yl)methyl]-3-hydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid
Other name (1)：
  • 1-[2-Amino-4(3H)-oxo-5-(formylamino)pyrimidine-6-ylmethyl]-1,2-dideoxy-β-D-ribofuranose 5-triphosphoric acid
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