Chem
J-GLOBAL ID:201007079795788413
Nikkaji number:J2.777.778C
dTDP-L-megosamine
チミジン5′-二りん酸β-(3-ジメチルアミノ-2,3,6-トリデオキシ-β-L-lyxo-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:
C18 H31 N3 O13 P2
Molecular formula furigana:
C18-H31-N3-O13-P2
Molecular weight:
559.402
InChI:
InChI=1S/C18H31N3O13P2/c1-9-7-21(18(25)19-17(9)24)14-6-12(22)13(32-14)8-30-35(26,27)34-36(28,29)33-15-5-11(20(3)4)16(23)10(2)31-15/h7,10-16,22-23H,5-6,8H2,1-4H3,(H,26,27)(H,28,29)(H,19,24,25)/t10-,11-,12-,13+,14+,15+,16+/m0/s1
InChI key:
XPIWJCQKSXFPJI-WYVHVMBXSA-N
SMILES:
C[C@@H]1O[C@@H](C[C@@H]([C@@H]1O)N(C)C)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 (3):
チミジン5′-二りん酸β-(3-ジメチルアミノ-2,3,6-トリデオキシ-β-L-lyxo-ヘキソピラノシル)
[({[(2R,4S,5S,6S)-4-(ジメチルアミノ)-5-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,4S,5S,6S)-4-(dimethylamino)-5-hydroxy-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
Other name (2):
Thymidine 5′-diphosphoric acid β-(3-dimethylamino-2,3,6-trideoxy-β-L-lyxo-hexopyranosyl) ester
dTDP-L-megosamine
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