AG003A0T

81256-88-4 | N-Benzoyl-5'-O-[bis(4-methoxyphenyl)phenylmethyl]-3'-O-[(1,1-dimethylethyl)dimethylsilyl]adenosine

AG003A0T

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CAS Number	81256-88-4
Catalog Number	AG003A0T(AGN-PC-0UJ2CF)
Chemical Name	N-Benzoyl-5'-O-[bis(4-methoxyphenyl)phenylmethyl]-3'-O-[(1,1-dimethylethyl)dimethylsilyl]adenosine
IUPAC Name	N-[9-[(2R,3R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyoxolan-2-yl]purin-6-yl]benzamide
InChI	InChI=1S/C44H49N5O7Si/c1-43(2,3)57(6,7)56-38-35(55-42(37(38)50)49-28-47-36-39(45-27-46-40(36)49)48-41(51)29-14-10-8-11-15-29)26-54-44(30-16-12-9-13-17-30,31-18-22-33(52-4)23-19-31)32-20-24-34(53-5)25-21-32/h8-25,27-28,35,37-38,42,50H,26H2,1-7H3,(H,45,46,48,51)/t35-,37-,38-,42-/m1/s1
InChI Key	QNPRMZLAAWKAPQ-GNECSJIWSA-N
MDL Number	MFCD00274103
Molecular Formula	C44H49N5O7Si
Molecular Weight	787.9747
SMILES	COC1=CC=C(C(C2=CC=CC=C2)(OC[C@@H]3[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](N4C(N=CN=C5NC(C6=CC=CC=C6)=O)=C5N=C4)O3)C7=CC=C(OC)C=C7)C=C1
Synonyms	5'-DMT-3'-TBDMS-Bz-rA, 81256-88-4, N6-benzoyl-3'-O-t-butyldimethylsilyl-5'-O-(4,4'-dimethoxytrityl)-adenosine, KS-00000SO0, MFCD00274103, AKOS024463287, ZINC169748267, CS-W018965, DS-7945, SB18253, ST24044016, N-(9-((2R,3R,4S,5R)-5-((bis(4-methoxyphenyl)(phenyl)methoxy)methyl)-4-((tert-butyldimethylsilyl)oxy)-3-hydroxytetrahydrofuran-2-yl)-9H-purin-6-yl)benzamide, N-{9-[(2R,3R,4S,5R)-5-{[bis(4-methoxyphenyl)(phenyl)methoxy]methyl}-4-[(tert-butyldimethylsilyl)oxy]-3-hydroxyoxolan-2-yl]-9H-purin-6-yl}benzamide, N-Benzoyl-5'-O-[bis(4-methoxyphenyl)phenylmethyl]-3'-O-[(1,1-dimethylethyl)dimethylsilyl]adenosine,

Complexity	1250
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	4
Defined Bond Stereocenter Count	0
Exact Mass	787.34g/mol
Formal Charge	0
Heavy Atom Count	57
Hydrogen Bond Acceptor Count	10
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	787.989g/mol
Monoisotopic Mass	787.34g/mol
Rotatable Bond Count	14
Topological Polar Surface Area	139A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number