Chem
J-GLOBAL ID:200907051111652655   Nikkaji number:J1.171.371H

5′-Thymidylic acid 2-amino-3-oxo-3-aminopropyl ester

5′-チミジル酸2-アミノ-3-オキソ-3-アミノプロピル
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: C13H21N4O9P
Molecular formula furigana: C13-H21-N4-O9-P
Molecular weight: 408.304
InChI: InChI=1S/C13H21N4O9P/c1-6-3-17(13(21)16-12(6)20)10-2-8(18)9(26-10)5-25-27(22,23)24-4-7(14)11(15)19/h3,7-10,18H,2,4-5,14H2,1H3,(H2,15,19)(H,22,23)(H,16,20,21)/t7?,8-,9+,10+/m0/s1
InChI key: QBXTUQLGYJRBHM-HCZOVWHVSA-N
SMILES: Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OCC(N)C(=O)N)O2)c(=O)[nH]c1=O
Systematic name  (3):
  • 5′-チミジル酸2-アミノ-3-オキソ-3-アミノプロピル
  • (2-アミノ-2-カルバモイルエトキシ)({[(2R,3S,5R)-3-ヒドロキシ-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]メトキシ})ホスフィン酸
  • (2-amino-2-carbamoylethoxy)({[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-2-yl]methoxy})phosphinic acid
Other name (1):
  • 5′-Thymidylic acid 2-amino-3-oxo-3-aminopropyl ester
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