chempirical

Dmt-dcytidine (N6-benzoyl) cyanoethyl phosphoramidite)

C43H54N5O8PCAS 110522-84-4799.91 g/mol

Open in Covalent MOL file
OHNNONOOOOOPNON
AmideEtherNitrileTertiary amine

Properties

Molecular formula
C43H54N5O8P
Molar mass
799.91 g/mol
Exact mass
799.3710 Da
logP
7.81Crippen estimate
Polar surface area
146.4 Ų
H-bond donors / acceptors
1 / 11
Rotatable bonds
19
Stereocentres
R, S, Rin SMILES atom order

Identifiers

CAS number
110522-84-4
SMILES
CC(C)C(=O)NC1=NC(=O)N(C=C1)[C@H]2C[C@@H]([C@H](O2)COC(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC)OP(N(C(C)C)C(C)C)OCCC#N
InChIKey
TXZRTLKYXTXDQF-PBRWWWDFSA-N
InChI
InChI=1S/C43H54N5O8P/c1-29(2)41(49)45-39-23-25-47(42(50)46-39)40-27-37(56-57(54-26-12-24-44)48(30(3)4)31(5)6)38(55-40)28-53-43(32-13-10-9-11-14-32,33-15-19-35(51-7)20-16-33)34-17-21-36(52-8)22-18-34/h9-11,13-23,25,29-31,37-38,40H,12,26-28H2,1-8H3,(H,45,46,49,50)/t37-,38+,40+,57?/m0/s1

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Names and synonyms

1 names
  • IBU-DC Phosphoramidite

Work with Dmt-dcytidine (N6-benzoyl) cyanoethyl 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]109389-30-277 % similar DMT-dT phosphoramidite98796-51-170 % 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]acetamide121058-88-663 % similar Guanosine, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-deoxy-N-(2-methyl-1-oxopropyl)-, 3′-[2-cyanoethyl N,N-bis(1-methylethyl)phosphoramidite]93183-15-462 % similar 5'-O-(4,4'-Dimethoxytrityl)-N6-phenoxyacetyl-2'-deoxyadenosine-3'-(2-cyanoethyl-N,N-diisopropyl)phosphoramidite110543-74-362 % similar Uridine, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-methyl-, 3′-[2-cyanoethyl N,N-bis(1-methylethyl)phosphoramidite]110764-79-961 % similar DA-CE phosphoramidite98796-53-359 % similar rU Phosphoramidite118362-03-150 % similar

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

Elsewhere

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