N-ベンゾイル-5′-O-(tert-ブチルジメチルシリル)-2′-デオキシアデノシン

N-(9-((2R,4S,5R)-5-((Tert-butyldimethylsilyloxy)methyl)-4-hydroxytetrahydrofuran-2-YL)-9H-purin-6-YL)benzamide

HCID 13833804

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 51549-39-4
標準SMILES: CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](n2cnc3c(NC(=O)c4ccccc4)ncnc32)C[C@@H]1O
InChIKey: BJZZQJFYKQPUGO-RCCFBDPRSA-N
分子式: C23H31N5O4Si
平均分子量: 469.6 g/mol

名称と識別子

優先名称: N-(9-((2R,4S,5R)-5-((Tert-butyldimethylsilyloxy)methyl)-4-hydroxytetrahydrofuran-2-YL)-9H-purin-6-YL)benzamide
IUPAC: N-[9-[(2R,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]purin-6-yl]benzamide
現地名: N-ベンゾイル-5′-O-(tert-ブチルジメチルシリル)-2′-デオキシアデノシン
英語名: N6-Benzoyl-5'-O-tert-butyldimethylsilyl-2'-deoxyadenosine
分子式: C23H31N5O4Si
分子量: 469.61

名称と別名

N-(9-((2R,4S,5R)-5-((TERT-BUTYLDIMETHYLSILYLOXY)METHYL)-4-HYDROXYTETRAHYDROFURAN-2-YL)-9H-PURIN-6-YL)BENZAMIDERefChem:828268684-336-951549-39-45'-O-TBDMS-Bz-dAN6-Benzoyl-5'-O-tert-butyldimethylsilyl-2'-deoxyadenosineN-(9-((2R,4S,5R)-5-(((tert-Butyldimethylsilyl)oxy)methyl)-4-hydroxytetrahydrofuran-2-yl)-9H-purin-6-yl)benzamideN-[9-[(2R,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]purin-6-yl]benzamideAdenosine, N-benzoyl-2'-deoxy-5'-O-[(1,1-dimethylethyl)dimethylsilyl]-N6-benzoyl-5'-O-(tert-butyldimethylsilyl)-2'-deoxyadenosineMFCD04972281orb1693124

名称をさらに表示

N-{9-[(2R,4S,5R)-5-{[(tert-ブチルジメチルシリル)オキシ]メチル}-4-ヒドロキシオキソラン-2-イル]-9H-プリン-6-イル}ベンズアミドN-ベンゾイル-5′-O-(tert-ブチルジメチルシリル)-2′-デオキシアデノシンN6-Bz-5′-O-TBS dAN6-Benzoyl-5’-O-TBDMS-2’-deoxyadenosineN6-benzoyl-5'-O-(TBDMS)-2'-deoxyadenosineN-Benzoyl-5'-O-tert-butyldiMethylsilyl-2'-deoxyadenosine, 98+%N-?benzoyl-?2'-?deoxy-?5'-?O-?[(1,?1-?dimethylethyl)?dimethylsilyl]?-Adenosine

SCHEMBL3822219SCHEMBL29461518DTXSID10722140N-Benzoyl-5'-O-Tert-Butyldimethylsilyl-2'-DeoxyadenosineBJZZQJFYKQPUGO-RCCFBDPRSA-NAKOS024424134NB63417AC-32244

データベース識別子

CAS: 51549-39-4
PubChem CID: 13833804
EC Number: 684-336-9
Nikkaji: J2.679.027A

物性

構造計算による物性

極性表面積: 111 Å²
水素結合供与体数: 2
水素結合受容体数: 7
回転可能結合数: 7
重原子数: 33
形式電荷: 0
複雑度: 684

物理化学的性質

比重(密度): 1.284 · 1.284±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
貯蔵温度: 4 °C, · 4°C, protect from light
溶解性: 100 mg/mL · DMSO : 100 mg/mL (212.94 mM; Need ultrasonic)
外見: Solid
酸解離定数(Pka): 7.871 · 7.871±0.43(predicted)
色: White to off-white
CAS データベース: 51549 · 51549-39-4

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 2.6% (1 of 39) of reports.

Warning

H315 (97.4%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.