chempirical

5'-O-(4,4'-Dimethoxytrityl)-N6-phenoxyacetyl-2'-deoxyadenosine-3'-(2-cyanoethyl-N,N-diisopropyl)phosphoramidite

C48H54N7O8PCAS 110543-74-3887.97 g/mol

Open in Covalent MOL file
NPONOOOOONNNNNHOO
AmideEtherNitrileTertiary amine

Properties

Molecular formula
C48H54N7O8P
Molar mass
887.97 g/mol
Exact mass
887.3771 Da
logP
8.82Crippen estimate
Polar surface area
164.3 Ų
H-bond donors / acceptors
1 / 13
Rotatable bonds
21
Stereocentres
S, R, Rin SMILES atom order

Identifiers

CAS number
110543-74-3
SMILES
CC(C)N(C(C)C)P(OCCC#N)O[C@H]1C[C@@H](O[C@@H]1COC(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC)N5C=NC6=C(N=CN=C65)NC(=O)COC7=CC=CC=C7
InChIKey
INUFZOANRLMUCW-SDNJGBRXSA-N
InChI
InChI=1S/C48H54N7O8P/c1-33(2)55(34(3)4)64(61-27-13-26-49)63-41-28-44(54-32-52-45-46(50-31-51-47(45)54)53-43(56)30-59-40-16-11-8-12-17-40)62-42(41)29-60-48(35-14-9-7-10-15-35,36-18-22-38(57-5)23-19-36)37-20-24-39(58-6)25-21-37/h7-12,14-25,31-34,41-42,44H,13,27-30H2,1-6H3,(H,50,51,53,56)/t41-,42+,44+,64?/m0/s1

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Names and synonyms

1 names
  • DMT-dA(PAc) Phosphoramidite

Work with 5'-O-(4,4'-Dimethoxytrityl)-N6-phenoxyacetyl-2'-deoxyadenosine-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

DA-CE phosphoramidite98796-53-371 % similar Guanosine, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-deoxy-N-(2-methyl-1-oxopropyl)-, 3′-[2-cyanoethyl N,N-bis(1-methylethyl)phosphoramidite]93183-15-463 % similar Dmt-dcytidine (N6-benzoyl) cyanoethyl phosphoramidite)110522-84-462 % similar N-Benzoyl-5'-O-(4,4-dimethoxytrityl)-2'-O-[(tert-butyl)dimethylsilyl]adenosine-3'-(2-cyanoethyl-N,N-diisopropyl)phosphoramidite104992-55-461 % similar Cytidine, N-benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-deoxy-, 3′-[2-cyanoethyl N,N-bis(1-methylethyl)phosphoramidite]102212-98-660 % similar 5′-O-(4,4′-Dimethoxytrityl)-2′-deoxyuridine-3′-O-[O-(2-cyanoethyl)-N,N′-diisopropylphosphoramidite]109389-30-260 % similar DMT-dT phosphoramidite98796-51-159 % similar Uridine, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-methyl-, 3′-[2-cyanoethyl N,N-bis(1-methylethyl)phosphoramidite]110764-79-948 % similar

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

Elsewhere

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