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S-(2-Cyanoethyl)-5'-O-(bis(4-methoxyphenyl)phenylmethyl)-6-thio-2'-deoxyinosine 3'-O-(2-cyanoethyl)-N,N-diisopropylphosphoramidite

View entire compound with spectra: 1 MS (GC)

S-(2-Cyanoethyl)-5'-O-(bis(4-methoxyphenyl)phenylmethyl)-6-thio-2'-deoxyinosine 3'-O-(2-cyanoethyl)-N,N-diisopropylphosphoramidite
SpectraBase Compound ID 1VJWWNKKQwy
InChI InChI=1S/C43H50N7O6PS/c1-30(2)50(31(3)4)57(54-24-10-22-44)56-37-26-39(49-29-48-40-41(49)46-28-47-42(40)58-25-11-23-45)55-38(37)27-53-43(32-12-8-7-9-13-32,33-14-18-35(51-5)19-15-33)34-16-20-36(52-6)21-17-34/h7-9,12-21,28-31,37-39H,10-11,24-27H2,1-6H3/t37-,38+,39+,57?/m0/s1
InChIKey CTMWXGPYDNGIMN-FYJGSNHZSA-N
Mol Weight 823.9 g/mol
Molecular Formula C43H50N7O6PS
Exact Mass 823.328091 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FU8swrX6Fn0
Name S-(2-Cyanoethyl)-5'-O-(bis(4-methoxyphenyl)phenylmethyl)-6-thio-2'-deoxyinosine 3'-O-(2-cyanoethyl)-N,N-diisopropylphosphoramidite
Alternate Name(s) 3-({9-[(2R,4S,5R)-5-{[bis(4-methoxyphenyl)(phenyl)methoxy]methyl}-4-{[2-cyano-8-methyl-7-(propan-2-yl)-5-oxa-1,7-diaza-6-phosphanon-1-yn-6-yl]oxy}oxolan-2-yl]-9H-purin-6-yl}sulfanyl)propanenitrile Diisopropyl-phosphoramidousacid(2R,5R)-2-[bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-5-[6-(2-cyano-ethylsulfanyl)-purin-9-yl]-tetrahydro-furan-3-yl ester 2-cyano-ethyl ester
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Formula C43H50N7O6PS
InChI InChI=1S/C43H50N7O6PS/c1-30(2)50(31(3)4)57(54-24-10-22-44)56-37-26-39(49-29-48-40-41(49)46-28-47-42(40)58-25-11-23-45)55-38(37)27-53-43(32-12-8-7-9-13-32,33-14-18-35(51-5)19-15-33)34-16-20-36(52-6)21-17-34/h7-9,12-21,28-31,37-39H,10-11,24-27H2,1-6H3/t37-,38+,39+,57?/m0/s1
InChIKey CTMWXGPYDNGIMN-FYJGSNHZSA-N
Molecular Weight 823.950 g/mol
SMILES c12[n](cnc2c(SCCC#N)ncn1)[C@@]1(O[C@](COC(c2ccc(cc2)OC)(c2ccc(cc2)OC)c2ccccc2)([C@](C1)(OP(N(C(C)C)C(C)C)OCCC#N)[H])[H])[H]
SPLASH splash10-0udi-0094000000-1bcb6a0dc4c409b55043
Source of Spectrum F-53-11199-6
Wiley ID 803305