chempirical

5'-Dimethoxytrityl-N-P-isopropyl-phenoxyacetyl-2'-deoxyguanosine, 3'-[(2-cyanoethyl)-(N,N-diisopropyl)]-phosphoramidite

C51H60N7O9PCAS 150065-82-0946.05 g/mol

Open in Covalent MOL file
OONHNONHNNOOOOOPNON
AmideEtherNitrileTertiary amine

Properties

Molecular formula
C51H60N7O9P
Molar mass
946.05 g/mol
Exact mass
945.4190 Da
logP
9.24Crippen estimate
Polar surface area
184.3 Ų
H-bond donors / acceptors
2 / 13
Rotatable bonds
22
Stereocentres
R, S, Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
150065-82-0
SMILES
CC(C)C1=CC=C(C=C1)OCC(=O)NC2=NC3=C(C(=O)N2)N=CN3[C@H]4C[C@@H]([C@H](O4)COC(C5=CC=CC=C5)(C6=CC=C(C=C6)OC)C7=CC=C(C=C7)OC)OP(N(C(C)C)C(C)C)OCCC#N
InChIKey
BTWWAYGTCZANKL-JIRGUTPESA-N
InChI
InChI=1S/C51H60N7O9P/c1-33(2)36-15-21-42(22-16-36)63-31-45(59)54-50-55-48-47(49(60)56-50)53-32-57(48)46-29-43(67-68(65-28-12-27-52)58(34(3)4)35(5)6)44(66-46)30-64-51(37-13-10-9-11-14-37,38-17-23-40(61-7)24-18-38)39-19-25-41(62-8)26-20-39/h9-11,13-26,32-35,43-44,46H,12,28-31H2,1-8H3,(H2,54,55,56,59,60)/t43-,44+,46+,68?/m0/s1

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Names and synonyms

1 names
  • (2R,3S,5R)-2-((Bis(4-methoxyphenyl)(phenyl)methoxy)methyl)-5-(2-(2-(4-isopropylphenoxy)acetamido)-6-oxo-3,6-dihydro-9H-purin-9-YL)tetrahydrofuran-3-YL (2-cyanoethyl) diisopropylphosphoramidite

Work with 5'-Dimethoxytrityl-N-P-isopropyl-phenoxyacetyl-2'-deoxyguanosine, 3'-[(2-cyanoethyl)-(N,N-diisopropyl)]-phosphoramidite

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

5'-O-(4,4'-Dimethoxytrityl)-N6-phenoxyacetyl-2'-deoxyadenosine-3'-(2-cyanoethyl-N,N-diisopropyl)phosphoramidite110543-74-374 % similar N4-(Dimethylamino)methylene)-5'-O-(dimethoxytrityl)-2'-deoxyguanosine-3'-N,N-diisopropyl (cyanoethyl) phosphoramidite330628-04-169 % similar 5'-O-(4,4-Dimethoxytrityl)-2'-O-methyl-N-isobutyrylguanosine-3'-(2-cyanoethyl-N,N-diisopropyl)phosphoramidite150780-67-966 % similar Guanosine, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-deoxy-N-(2-methyl-1-oxopropyl)-, 3′-[2-cyanoethyl N,N-bis(1-methylethyl)phosphoramidite]93183-15-460 % similar DA-CE phosphoramidite98796-53-360 % similar Dmt-dcytidine (N6-benzoyl) cyanoethyl phosphoramidite)110522-84-459 % similar Ac-dC phosphoramidite154110-40-459 % similar 5′-O-(4,4′-Dimethoxytrityl)-2′-deoxyuridine-3′-O-[O-(2-cyanoethyl)-N,N′-diisopropylphosphoramidite]109389-30-257 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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