Chem
J-GLOBAL ID：201207047607363716
Nikkaji number：J3.088.325J
Thymidine 5′-diphosphoric acid P2-(4,6-dideoxy-4-formylamino-α-D-glucopyranosyl) ester
チミジン5′-二りん酸P2-(4,6-ジデオキシ-4-ホルミルアミノ-α-D-グルコピラノシル)
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
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
Molecular formula： C17H27N3O15P2
Molecular formula furigana： C17-H27-N3-O15-P2
Molecular weight： 575.357
InChI：
InChI=1S/C17H27N3O15P2/c1-7-4-20(17(26)19-15(7)25)11-3-9(22)10(33-11)5-31-36(27,28)35-37(29,30)34-16-14(24)13(23)12(18-6-21)8(2)32-16/h4,6,8-14,16,22-24H,3,5H2,1-2H3,(H,18,21)(H,27,28)(H,29,30)(H,19,25,26)/t8-,9+,10-,11-,12-,13+,14-,16-/m1/s1
InChI key：
QULUVRDLMBXPHO-GJSHGOAISA-N
SMILES：
C[C@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@H](C[C@@H]2O)n2cc(C)c(=O)[nH]c2=O)[C@H](O)[C@@H](O)[C@@H]1NC=O
Systematic name (3)：
- チミジン5′-二りん酸P2-(4,6-ジデオキシ-4-ホルミルアミノ-α-D-グルコピラノシル)
- [({[(2R,3R,4S,5S,6R)-5-ホルムアミド-3,4-ジヒドロキシ-6-メチルオキサン-2-イル]オキシ}(ヒドロキシ)ホスホリル)オキシ]({[(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
- [({[(2R,3R,4S,5S,6R)-5-formamido-3,4-dihydroxy-6-methyloxan-2-yl]oxy}(hydroxy)phosphoryl)oxy]({[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-2-yl]methoxy})phosphinic acid
- Thymidine 5′-diphosphoric acid P2-(4,6-dideoxy-4-formylamino-α-D-glucopyranosyl) ester
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