AG001EOK

147201-04-5 | Guanosine, 5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2'-O-[(1,1-dimethylethyl)dimethylsilyl]-N-(2-methyl-1-oxopropyl)-, 3'-[2-cyanoethyl N,N-bis(1-methylethyl)phosphoramidite]

AG001EOK

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CAS Number	147201-04-5
Catalog Number	AG001EOK(AGN-PC-0PZZ4S)
Chemical Name	Guanosine, 5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2'-O-[(1,1-dimethylethyl)dimethylsilyl]-N-(2-methyl-1-oxopropyl)-, 3'-[2-cyanoethyl N,N-bis(1-methylethyl)phosphoramidite]
IUPAC Name	N-[9-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-[tert-butyl(dimethyl)silyl]oxy-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyoxolan-2-yl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide
InChI	InChI=1S/C50H68N7O9PSi/c1-32(2)45(58)54-48-53-44-41(46(59)55-48)52-31-56(44)47-43(66-68(12,13)49(7,8)9)42(65-67(63-29-17-28-51)57(33(3)4)34(5)6)40(64-47)30-62-50(35-18-15-14-16-19-35,36-20-24-38(60-10)25-21-36)37-22-26-39(61-11)27-23-37/h14-16,18-27,31-34,40,42-43,47H,17,29-30H2,1-13H3,(H2,53,54,55,58,59)/t40-,42-,43-,47-,67?/m1/s1
InChI Key	PGJKESPHANLWME-FTZVBZPOSA-N
MDL Number	MFCD00674112
Molecular Formula	C50H68N7O9PSi
Molecular Weight	970.1757
SMILES	N#CCCOP(N(C(C)C)C(C)C)O[C@@H]1[C@@H](COC(c2ccc(cc2)OC)(c2ccc(cc2)OC)c2ccccc2)O[C@H]([C@@H]1O[Si](C(C)(C)C)(C)C)n1cnc2c1nc(NC(=O)C(C)C)[nH]c2=O
Synonyms	I-bu-rG Phosphoramidite, 147201-04-5, (2R,3R,4R,5R)-2-((Bis(4-methoxyphenyl)(phenyl)methoxy)methyl)-4-((tert-butyldimethylsilyl)oxy)-5-(2-isobutyramido-6-oxo-1H-purin-9(6H)-yl)tetrahydrofuran-3-yl (2-cyanoethyl) diisopropylphosphoramidite, DMT-2'O-TBDMS-rG(ib) Pharmadite(R), DMT-2'O-TBDMS-rG(ib) Phosphoramidite, ibu-rG Phosphoramidite, DMT-2'O-TBDMS-rG(ib) Phosphoramidite, configured for ABI, DMT-2'O-TBDMS-rG(ib) Phosphoramidite, configured for MerMade, DMT-2'O-TBDMS-rG(ib) Phosphoramidite, configured for PerkinElmer, configured for Polygen, C50H68N7O9PSi, SCHEMBL668541, Dmt-2'o-tbdms-rg(ib) amidite, CTK8B4328, DTXSID20559560, 5'-O-(4,4-Dimethoxytrityl)-2'-O-[(tert-butyl)dimethylsilyl]-N-isobutyrylguanosine-3'-(2-cyanoethyl-N,N-diisopropyl)phosphoramidite, 7315AA, ANW-44700, MFCD00080299, AKOS015999122, ZINC169745822, CS-W006103, 201D045, J-700106, DMT-2 inverted exclamation markaO-TBDMS-rG(ib) Phosphoramidite, DMT-2'O-TBDMS-rG(ib) Phosphoramidite, configured for ??KTA(R) and OligoPilot(R), 2'-O-(tert-Butyldimethylsilyl)-3'-O-[(diisopropylamino)(2-cyanoethoxy)phosphino]-5'-O-(4,4'-dimethoxytrityl)-N-isobutyrylguanosine, 5'-O-(4,4'-Dimethoxy)-N2-isobutyryl-guanosine 2'-O-[1,1-dimethylethyl)dimethylsilyl-3'-[(2-cyanoethyl)-(N,N-diisopropyl)]-phosphoram idite, 5'-O-[Bis(4-methoxyphenyl)(phenyl)methyl]-2'-O-[tert-butyl(dimethyl)silyl]-3'-O-{(2-cyanoethoxy)[di(propan-2-yl)amino]phosphanyl}-N-(2-methylpropanoyl)guanosine, DMT-2'O-TBDMS-rG(ib) Phosphoramidite, configured for (??KTA(R) and OligoPilot(R)), configured for ABI,

Complexity	1690
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	4
Defined Bond Stereocenter Count	0
Exact Mass	969.459g/mol
Formal Charge	0
Heavy Atom Count	68
Hydrogen Bond Acceptor Count	13
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	970.193g/mol
Monoisotopic Mass	969.459g/mol
Rotatable Bond Count	22
Topological Polar Surface Area	180A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0

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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