Chem
J-GLOBAL ID：200907035217976012   Nikkaji number：J298.749J

β,γ-Methylene TTP

β,γ-メチレンTTP
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： C11H19N2O13P3
Molecular formula furigana： C11-H19-N2-O13-P3
Molecular weight： 480.195
InChI： InChI=1S/C11H19N2O13P3/c1-6-3-13(11(16)12-10(6)15)9-2-7(14)8(25-9)4-24-29(22,23)26-28(20,21)5-27(17,18)19/h3,7-9,14H,2,4-5H2,1H3,(H,20,21)(H,22,23)(H,12,15,16)(H2,17,18,19)/t7-,8+,9+/m0/s1
InChI key： HEDAITKJNKXWIZ-DJLDLDEBSA-N
SMILES： Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)CP(=O)(O)O)O2)c(=O)[nH]c1=O
Systematic name  (4)：
  • チミジン5′-[β,γ-メチレン]三りん酸
  • チミジン5′-(りん酸ホスホノメチルホスホニル)
  • {[ヒドロキシ({[ヒドロキシ({[(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})ホスホリル]オキシ})ホスホリル]メチル}ホスホン酸
  • {[hydroxy({[hydroxy({[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-2-yl]methoxy})phosphoryl]oxy})phosphoryl]methyl}phosphonic acid
Other name (3)：
  • Thymidine 5′-(phosphoric acid phosphonomethylphosphonyl) ester
  • β,γ-メチレンTTP
  • β,γ-Methylene TTP
CAS registry number： 59957-94-7
Regulation number (1)：
  • EINECS2619920
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