Chem
J-GLOBAL ID:200907050841936601
Nikkaji number:J2.756.518B
3-(Hydroxymethyl)-3′-O-[[(1α,5α,8R)-7β-(2,4-dioxo-1,2,3,4-tetrahydropyrimidine-1-yl)-8-hydroxy-2,6-dioxa-3-azabicyclo[3.2.1]octane-3-yl]carbonyl]-5′-O-(4,4′-dimethoxytrityl)thymidine
3-(ヒドロキシメチル)-3′-O-[[(1α,5α,8R)-7β-(2,4-ジオキソ-1,2,3,4-テトラヒドロピリミジン-1-イル)-8-ヒドロキシ-2,6-ジオキサ-3-アザビシクロ[3.2.1]オクタン-3-イル]カルボニル]-5′-O-(4,4′-ジメトキシトリチル)チミジン
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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:
C42 H43 N5 O14
Molecular formula furigana:
C42-H43-N5-O14
Molecular weight:
841.827
InChI:
InChI=1S/C42H43N5O14/c1-24-20-45(40(53)46(23-48)37(24)51)34-19-30(60-41(54)47-21-31-35(50)36(61-47)38(59-31)44-18-17-33(49)43-39(44)52)32(58-34)22-57-42(25-7-5-4-6-8-25,26-9-13-28(55-2)14-10-26)27-11-15-29(56-3)16-12-27/h4-18,20,30-32,34-36,38,48,50H,19,21-23H2,1-3H3,(H,43,49,52)/t30-,31+,32+,34+,35+,36-,38+/m0/s1
InChI key:
BQNVWPRHPZIBBL-MZXONVLUSA-N
SMILES:
COc1ccc(cc1)C(OC[C@H]1O[C@H](C[C@@H]1OC(=O)N1C[C@H]2O[C@H]([C@@H](O1)[C@@H]2O)n1ccc(=O)[nH]c1=O)n1cc(C)c(=O)n(CO)c1=O)(c1ccccc1)c1ccc(OC)cc1
Systematic name (3):
3-(ヒドロキシメチル)-3′-O-[[(1α,5α,8R)-7β-(2,4-ジオキソ-1,2,3,4-テトラヒドロピリミジン-1-イル)-8-ヒドロキシ-2,6-ジオキサ-3-アザビシクロ[3.2.1]オクタン-3-イル]カルボニル]-5′-O-(4,4′-ジメトキシトリチル)チミジン
(2R,3S,5R)-2-{[ビス(4-メトキシフェニル)(フェニル)メトキシ]メチル}-5-[3-(ヒドロキシメチル)-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-3-イル (1S,5R,7R,8R)-7-(2,4-ジオキソ-1,2,3,4-テトラヒドロピリミジン-1-イル)-8-ヒドロキシ-2,6-ジオキサ-3-アザビシクロ[3.2.1]オクタン-3-カルボキシラート
(2R,3S,5R)-2-{[bis(4-methoxyphenyl)(phenyl)methoxy]methyl}-5-[3-(hydroxymethyl)-5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl]oxolan-3-yl (1S,5R,7R,8R)-7-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-8-hydroxy-2,6-dioxa-3-azabicyclo[3.2.1]octane-3-carboxylate
Other name (1):
3-(Hydroxymethyl)-3′-O-[[(1α,5α,8R)-7β-(2,4-dioxo-1,2,3,4-tetrahydropyrimidine-1-yl)-8-hydroxy-2,6-dioxa-3-azabicyclo[3.2.1]octane-3-yl]carbonyl]-5′-O-(4,4′-dimethoxytrityl)thymidine
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