Chem
J-GLOBAL ID:200907035217976012
Nikkaji number:J298.749J
β,γ-Methylene TTP
β,γ-メチレンTTP
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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:
C11 H19 N2 O13 P3
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):
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