chempirical

5'-O-(4,4-Dimethoxytrityl)-2'-O-methyl-N-isobutyrylguanosine-3'-(2-cyanoethyl-N,N-diisopropyl)phosphoramidite

C45H56N7O9PCAS 150780-67-9869.96 g/mol

Open in Covalent MOL file
ONHNONHNNOOOOOPNONO
AmideEtherNitrileTertiary amine

Properties

Molecular formula
C45H56N7O9P
Molar mass
869.96 g/mol
Exact mass
869.3877 Da
logP
7.31Crippen estimate
Polar surface area
184.3 Ų
H-bond donors / acceptors
2 / 13
Rotatable bonds
20
Stereocentres
R, R, R, 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
150780-67-9
SMILES
CC(C)C(=O)NC1=NC2=C(C(=O)N1)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COC(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC)OP(N(C(C)C)C(C)C)OCCC#N)OC
InChIKey
IRRDHRZUOZNWDJ-MLLDKZSOSA-N
InChI
InChI=1S/C45H56N7O9P/c1-28(2)41(53)49-44-48-40-37(42(54)50-44)47-27-51(40)43-39(57-9)38(61-62(59-25-13-24-46)52(29(3)4)30(5)6)36(60-43)26-58-45(31-14-11-10-12-15-31,32-16-20-34(55-7)21-17-32)33-18-22-35(56-8)23-19-33/h10-12,14-23,27-30,36,38-39,43H,13,25-26H2,1-9H3,(H2,48,49,50,53,54)/t36-,38-,39-,43-,62?/m1/s1

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Names and synonyms

1 names
  • 2'-OMe-G(ibu) Phosphoramidite

Work with 5'-O-(4,4-Dimethoxytrityl)-2'-O-methyl-N-isobutyrylguanosine-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'-Dimethoxytrityl-N-P-isopropyl-phenoxyacetyl-2'-deoxyguanosine, 3'-[(2-cyanoethyl)-(N,N-diisopropyl)]-phosphoramidite150065-82-066 % similar N-Acetyl-5'-O-(4,4-dimethoxytrityl)-2'-O-methylcytidine-3'-(2-cyanoethyl-N,N-diisopropyl)phosphoramidite199593-09-465 % similar Uridine, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-methyl-, 3′-[2-cyanoethyl N,N-bis(1-methylethyl)phosphoramidite]110764-79-964 % similar N-Benzoyl-5'-O-(4,4-dimethoxytrityl)-2'-O-[(tert-butyl)dimethylsilyl]adenosine-3'-(2-cyanoethyl-N,N-diisopropyl)phosphoramidite104992-55-461 % similar N4-(Dimethylamino)methylene)-5'-O-(dimethoxytrityl)-2'-deoxyguanosine-3'-N,N-diisopropyl (cyanoethyl) phosphoramidite330628-04-160 % similar Dmt-dcytidine (N6-benzoyl) cyanoethyl phosphoramidite)110522-84-458 % similar N-[1-[5-[[Bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-[tert-butyl(dimethyl)silyl]oxy-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyoxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide121058-88-656 % similar 5'-O-(4,4-Dimethoxytrityl)-2'-deoxy-2'-fluorouridine-3'-(2-cyanoethyl-N,N-diisopropyl)phosphoramidite146954-75-855 % similar

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

Elsewhere

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