AG00545O

81265-93-2 | 5'-O-DMT-2'-O-TBDMS-N6-Bz-adenosine

AG00545O

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CAS Number	81265-93-2
Catalog Number	AG00545O(AGN-PC-0UJ2NT)
Chemical Name	5'-O-DMT-2'-O-TBDMS-N6-Bz-adenosine
IUPAC Name	N-[9-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyoxolan-2-yl]purin-6-yl]benzamide
InChI	InChI=1S/C44H49N5O7Si/c1-43(2,3)57(6,7)56-38-37(50)35(55-42(38)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	DAZIGOPASNJPCJ-GNECSJIWSA-N
MDL Number	MFCD00080294
Molecular Formula	C44H49N5O7Si
Molecular Weight	787.9747
SMILES	O=C(NC1=C2N=CN([C@@H]3O[C@H](COC(C4=CC=C(OC)C=C4)(C5=CC=C(OC)C=C5)C6=CC=CC=C6)[C@@H](O)[C@H]3O[Si](C)(C(C)(C)C)C)C2=NC=N1)C7=CC=CC=C7
Synonyms	81265-93-2, 5'-O-DMT-2'-O-TBDMS-N-Bz-Adenosine, N-(9-((2R,3R,4R,5R)-5-((Bis(4-methoxyphenyl)(phenyl)methoxy)methyl)-3-((tert-butyldimethylsilyl)oxy)-4-hydroxytetrahydrofuran-2-yl)-9H-purin-6-yl)benzamide, C44H49N5O7Si, SCHEMBL6396836, CTK5E8664, DTXSID10551634, 2621AC, ANW-44698, MFCD00080294, AKOS015999124, ZINC169745827, SB18252, DS-14584, TC-133443, ST24023661, J-700110, J-700368, n6-Benzoyl-2'-O-tert-butyldimethylsilyl-5'-O-dmt-adenosine, 5'-O-(4,4'-dimethoxytrityl)-2'-O-(t-butyldimethylsilyl)-n6-benzoyl-adenosine, 5'-O-(4,4'-Dimethoxytrityl)-2'-O-(tert-butyldimethylsilyl)-N-benzoyladenosine, N6-Benzoyl-5'-O-(4,4'-dimethoxytrityl)-2'-O-(tert-butyldimethylsilyl)adenosine, 5'-O-(4,4'-Dimethoxytrityl) 2'-O-[(1,1-dimethylethyl)-dimethylsilyl]-N6- benzoyl-adenosine, ADENOSINE, N-BENZOYL-5'-O-[BIS(4-METHOXYPHENYL)PHENYLMETHYL]-2'-O-[(1,1-DIMETHYLETHYL)DIMETHYLSILYL]-, N-{9-[(2R,3R,4R,5R)-5-{[bis(4-methoxyphenyl)(phenyl)methoxy]methyl}-3-[(tert-butyldimethylsilyl)oxy]-4-hydroxyoxolan-2-yl]-9H-purin-6-yl}benzamide, N-Benzoyl-5'-O-[bis(4-methoxyphenyl)(phenyl)methyl]-2'-O-[tert-butyl(dimethyl)silyl]adenosine, DAZIGOPASNJPCJ-GNECSJIWSA-N, N-(9-((2R,3R,4R,5R)-5-((Bis(4-methoxyphenyl)(phenyl)methoxy)methyl)-3-((tert-butyldimethylsilyl)oxy),

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

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