Chem
J-GLOBAL ID:200907037282752248
Nikkaji number:J1.179.583H
dTDP-4-oxo-2,6-dideoxy-α-D-allose
チミジン5′-二りん酸β-(4-オキソ-2,4,6-トリデオキシ-α-D-erythro-ヘキソピラノシル)
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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:
C16 H24 N2 O14 P2
Molecular formula furigana:
C16-H24-N2-O14-P2
Molecular weight:
530.316
InChI:
InChI=1S/C16H24N2O14P2/c1-7-5-18(16(23)17-15(7)22)12-3-9(19)11(30-12)6-28-33(24,25)32-34(26,27)31-13-4-10(20)14(21)8(2)29-13/h5,8-13,19-20H,3-4,6H2,1-2H3,(H,24,25)(H,26,27)(H,17,22,23)/t8-,9+,10+,11-,12-,13-/m1/s1
InChI key:
AONILRCSLAIOQE-KISRQWFGSA-N
SMILES:
C[C@H]1O[C@@H](C[C@H](O)C1=O)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@H](C[C@@H]1O)n1cc(C)c(=O)[nH]c1=O
Systematic name (5):
チミジン5′-[二りん酸P2 -(2,6-ジデオキシ-α-D-erythro-4-ヘキソスロピラノシル)]
チミジン5′-二りん酸P2 -[(2R)-4α-ヒドロキシ-5-オキソ-6β-メチルテトラヒドロ-2H-ピラン-2α-イル]
チミジン5′-二りん酸β-(4-オキソ-2,4,6-トリデオキシ-α-D-erythro-ヘキソピラノシル)
{[ヒドロキシ({[(2R,4S,6R)-4-ヒドロキシ-6-メチル-5-オキソオキサン-2-イル]オキシ})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
{[hydroxy({[(2R,4S,6R)-4-hydroxy-6-methyl-5-oxooxan-2-yl]oxy})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
Other name (4):
Thymidine 5′-[diphosphoric acid P2 -(2,6-dideoxy-α-D-erythro-4-hexosulopyranosyl)] ester
Thymidine 5′-diphosphoric acid P2 -[(2R)-4α-hydroxy-5-oxo-6β-methyltetrahydro-2H-pyran-2α-yl] ester
Thymidine 5′-diphosphoric acid β-(4-oxo-2,4,6-trideoxy-α-D-erythro-hexopyranosyl) ester
dTDP-4-oxo-2,6-dideoxy-α-D-allose
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