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(2S,3S,4S,5S)-5-(6-benzamido-9H-purin-9-yl)-2-((bis(4-methoxyphenyl)(phenyl)methoxy)methyl)-4-((tert-butyldimethylsilyl)oxy)tetrahydrofuran-3-yl (2-cyanoethyl) diisopropylphosphoramidite

HCID 178721990
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Basic information

CAS
1803193-36-3
Standard SMILES
COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(NC(=O)c5ccccc5)ncnc43)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1
InChIKey
FFXHNCNNHASXCT-XMSTWNTJSA-N
Molecular formula
C53H66N7O8PSi
Average molar mass
988.2 g/mol

Names & identifiers

Preferred name
(2S,3S,4S,5S)-5-(6-benzamido-9H-purin-9-yl)-2-((bis(4-methoxyphenyl)(phenyl)methoxy)methyl)-4-((tert-butyldimethylsilyl)oxy)tetrahydrofuran-3-yl (2-cyanoethyl) diisopropylphosphoramidite
IUPAC
N-[9-[(2S,3S,4S,5S)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-[tert-butyl(dimethyl)silyl]oxy-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyoxolan-2-yl]purin-6-yl]benzamide
English name
Benzamide, N-[9-[5-O-[bis(4-methoxyphenyl)phenylmethyl]-3-O-[[bis(1-methylethyl)amino](2-cyanoethoxy)phosphino]-2-O-[(1,1-dimethylethyl)dimethylsilyl]-β-L-ribofuranosyl]-9H-purin-6-yl]-
Molecular formula
C53H66N7O8PSi
Molecular weight
988.19

Names & synonyms

(2S,3S,4S,5S)-5-(6-benzamido-9H-purin-9-yl)-2-((bis(4-methoxyphenyl)(phenyl)methoxy)methyl)-4-((tert-butyldimethylsilyl)oxy)tetrahydrofuran-3-yl (2-cyanoethyl) diisopropylphosphoramidite1803193-36-3Bz-rA Phosphoramidite enantiomerH41480L-RNA?AL-rA(Bz)PhosphoramiditeDMTr-2'-O-TBDMS-L-rA(Bz)-3'-5'-DMTr-2'-O-TBDMS-N6Bz-3'-O-CEP-ADENOSINEDMTr-2'-O-TBDMS-L-rA(Bz)-3'-CE-Phosphoramidite5'-O-DMT-2'-O-TBDMS-N6-Benzoyl-L-Adenosine 3'-CE phosphoramidite(2S,3S,4S,5S)-5-(6-benzamido-9H-purin-9-yl)-2-((bis(4-methoxyphenyl)(phenyl)methoxy)methyl)-4-((tert-butyldimethylsilyl)oxy)tetrahydrofuran-3-yl(2-cyanoethyl)diisopropylphosphoramiditeBenzamide, N-[9-[5-O-[bis(4-methoxyphenyl)phenylmethyl]-3-O-[[bis(1-methylethyl)amino](2-cyanoethoxy)phosphino]-2-O-[(1,1-dimethylethyl)dimethylsilyl]-β-L-ribofuranosyl]-9H-purin-6-yl]-

Database identifiers

Properties

Computed structural propertiesFilling in

Topological polar surface area
164 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
13
Rotatable bonds
22
Heavy atoms
70
Formal charge
0
Complexity
1,630

Physicochemical properties

pka
8.8 · 8.80±0.10(Predicted)

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CAS
1803193-36-3