chempirical

Cytidine, N-benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-deoxy-, 3′-[2-cyanoethyl N,N-bis(1-methylethyl)phosphoramidite]

C46H52N5O8PCAS 102212-98-6833.92 g/mol

Open in Covalent MOL file
OOONNONOHOPONNO
EtherNitrilePhenolTertiary amine

Properties

Molecular formula
C46H52N5O8P
Molar mass
833.92 g/mol
Exact mass
833.3554 Da
logP
8.30Crippen estimate
Polar surface area
149.9 Ų
H-bond donors / acceptors
1 / 11
Rotatable bonds
18
Stereocentres
R, R, Sin SMILES atom order

Identifiers

CAS number
102212-98-6
SMILES
COc1ccc(C(OC[C@H]2O[C@@H](n3ccc(=NC(=O)c4ccccc4)nc3O)C[C@@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1
InChIKey
PGTNFMKLGRFZDX-SALLYJDFSA-N
InChI
InChI=1S/C46H52N5O8P/c1-32(2)51(33(3)4)60(57-29-13-27-47)59-40-30-43(50-28-26-42(49-45(50)53)48-44(52)34-14-9-7-10-15-34)58-41(40)31-56-46(35-16-11-8-12-17-35,36-18-22-38(54-5)23-19-36)37-20-24-39(55-6)25-21-37/h7-12,14-26,28,32-33,40-41,43H,13,29-31H2,1-6H3,(H,48,49,52,53)/t40-,41+,43+,60?/m0/s1

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Names and synonyms

2 names
  • Cytidine, N-benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-deoxy-, 3′-[2-cyanoethyl bis(1-methylethyl)phosphoramidite]
  • N4-Benzoyl-5′-O-(4,4′-dimethoxytrityl)-2′-deoxycytidine-3′-O-[O-(2-cyanoethyl)-N,N′-diisopropylphosphoramidite]

Work with Cytidine, N-benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-deoxy-, 3′-[2-cyanoethyl N,N-bis(1-methylethyl)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)-2′-deoxyuridine-3′-O-[O-(2-cyanoethyl)-N,N′-diisopropylphosphoramidite]109389-30-272 % similar DMT-dT phosphoramidite98796-51-167 % similar Dmt-dcytidine (N6-benzoyl) cyanoethyl phosphoramidite)110522-84-467 % similar DA-CE phosphoramidite98796-53-367 % similar N-Benzoyl-5′-O-(4,4′-dimethoxytrityl)-2′-deoxycytidine67219-55-066 % similar Guanosine, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-deoxy-N-(2-methyl-1-oxopropyl)-, 3′-[2-cyanoethyl N,N-bis(1-methylethyl)phosphoramidite]93183-15-464 % similar 5'-O-(4,4'-Dimethoxytrityl)-N6-phenoxyacetyl-2'-deoxyadenosine-3'-(2-cyanoethyl-N,N-diisopropyl)phosphoramidite110543-74-360 % similar Uridine, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-methyl-, 3′-[2-cyanoethyl N,N-bis(1-methylethyl)phosphoramidite]110764-79-958 % similar

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

Elsewhere

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