AG00JNML

98796-53-3 | N6-Benzoyl-2’-deoxy-5’-O-dimethoxytrityladenosine-3’-O-diisopropylaminocyanoethylphosphoramidite

AG00JNML

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CAS Number	98796-53-3
Catalog Number	AG00JNML(AGN-PC-0W8MEJ)
Chemical Name	N6-Benzoyl-2’-deoxy-5’-O-dimethoxytrityladenosine-3’-O-diisopropylaminocyanoethylphosphoramidite
EC Number	685-521-7
IUPAC Name	N-[9-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyoxolan-2-yl]purin-6-yl]benzamide
InChI	InChI=1S/C47H52N7O7P/c1-32(2)54(33(3)4)62(59-27-13-26-48)61-40-28-42(53-31-51-43-44(49-30-50-45(43)53)52-46(55)34-14-9-7-10-15-34)60-41(40)29-58-47(35-16-11-8-12-17-35,36-18-22-38(56-5)23-19-36)37-20-24-39(57-6)25-21-37/h7-12,14-25,30-33,40-42H,13,27-29H2,1-6H3,(H,49,50,52,55)/t40-,41+,42+,62?/m0/s1
InChI Key	GGDNKEQZFSTIMJ-AKWFTNRHSA-N
MDL Number	MFCD00036314
Molecular Formula	C47H52N7O7P
Molecular Weight	857.9322
SMILES	O=C(NC1=NC=NC2=C1N=CN2[C@H](O3)C[C@H](OP(N(C(C)C)C(C)C)OCCC#N)[C@H]3COC(C4=CC=C(OC)C=C4)(C5=CC=CC=C5)C6=CC=C(OC)C=C6)C7=CC=CC=C7
Synonyms	98796-53-3, DMT-dA(bz) Phosphoramidite, 5'-O-(4,4'-Dimethoxytrityl)-N6-benzoyl-2'-deoxyadenosine-3'-(2-cyanoethyl-N,N-diisopropyl)phosphoramidite, DMT-dA(bz) Pharmadite(R), N6-Benzoyl-2'-deoxy-5'-O-DMT-adenosine 3'-CE phosphoramidite, DMT-dA(bz) Phosphoramidite, configured for ABI, DMT-dA(bz) Phosphoramidite, configured for MerMade, DMT-dA(bz) Phosphoramidite, configured for ??KTA(R) and OligoPilot(R), SCHEMBL2054229, CTK8G1493, AKOS022179886, ZINC150338953, BC240823, ST24044021, 796D533, C-52006, DMT-dA(bz) Phosphoramidite, configured for ABI(TM) 39X, N6-Benzoyl-5'-O-DMT-2'-deoxyadenosine 3'-CE phosphoramidite, DMT-dA(bz) Phosphoramidite, configured for PerkinElmer 8900, configured for Polygen, DMT-dA(bz) Phosphoramidite, configured for PerkinElmer, configured for Polygen, (2R,3S,5R)-5-(6-benzamido-9H-purin-9-yl)-2-((bis(4-methoxyphenyl)(phenyl)methoxy)methyl)tetrahydrofuran-3-yl 2-cyanoethyl diisopropylphosphoramidite, N-Benzoyl-3'-O-[2-cyanoethoxy(diisopropylamino)phosphino]-5'-O-(4,4'-dimethoxytrityl)-2'-deoxyadenosine, N-benzoyl-5'-O-[bis(4-methoxyphenyl)phenylmethyl]- 2'-deoxy-3'-[2-cyanoethyl-N,N-bis(1-methylethyl) phosphoramidite] Adenosine,OK-Y-07002,, N6-Benzoyl-2'-deoxy-5'-O-dimethoxytrityladenosine-3'-O-diisopropylaminocyanoethylphosphoramidite, GGDNKEQZFSTIMJ-AKWFTNRHSA-N, CID9962711, CID 9962711, 5'-O-(4,4'-Dimethoxy trityl)-N6-benzoyl-2'-deoxyadenosine-3'-(2-cyanoethyl-N,N-diiso propyl)phosphoramidite,

Complexity	1380
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	3
Defined Bond Stereocenter Count	0
Exact Mass	857.367g/mol
Formal Charge	0
Heavy Atom Count	62
Hydrogen Bond Acceptor Count	12
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	857.949g/mol
Monoisotopic Mass	857.367g/mol
Rotatable Bond Count	19
Topological Polar Surface Area	155A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	6.8

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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