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

HCID 13833804CAS 51549-39-4

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Grundinformationen

Standard-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
Summenformel: C23H31N5O4Si
Durchschnittliche Molmasse: 469,6 g/mol

Namen und Bezeichner

Bevorzugter Name: 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

Namen und Synonyme

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

Weitere Namen anzeigen

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

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 111 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 7
Frei drehbare Bindungen: 7
Schwere Atome: 33
Formalladung: 0
Komplexität: 684

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

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.