chempirical

N-Benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-deoxyadenosine

C38H35N5O6CAS 64325-78-6657.73 g/mol

Open in Covalent MOL file
OOONNHNONNHOO
AlcoholEther

Properties

Molecular formula
C38H35N5O6
Molar mass
657.73 g/mol
Exact mass
657.2587 Da
logP
6.14Crippen estimate
Polar surface area
133.3 Ų
H-bond donors / acceptors
2 / 9
Rotatable bonds
11
Stereocentres
R, R, Sin SMILES atom order

Identifiers

CAS number
64325-78-6
SMILES
COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(N=C(O)c5ccccc5)ncnc43)C[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1
InChIKey
LPICNYATEWGYHI-WIHCDAFUSA-N
InChI
InChI=1S/C38H35N5O6/c1-46-29-17-13-27(14-18-29)38(26-11-7-4-8-12-26,28-15-19-30(47-2)20-16-28)48-22-32-31(44)21-33(49-32)43-24-41-34-35(39-23-40-36(34)43)42-37(45)25-9-5-3-6-10-25/h3-20,23-24,31-33,44H,21-22H2,1-2H3,(H,39,40,42,45)/t31-,32+,33+/m0/s1

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Names and synonyms

6 names
  • Adenosine, N-benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-deoxy-
  • Adenosine, N-benzoyl-5′-O-[α,α-bis(p-methoxyphenyl)benzyl]-2′-deoxy-
  • 5′-O-(Dimethoxytrityl)-N-benzoyldeoxyadenosine
  • N6-Benzoyl-5′-O-(dimethoxytrityl)deoxyadenosine
  • 5′-O-(Dimethoxytrityl)-N6-benzoyl-2′-deoxyadenosine
  • N6-Benzoyl-5′-O-(4,4′-dimethoxytrityl)-2′-deoxyadenosine

Work with N-Benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-deoxyadenosine

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

N-Benzoyl-2′-deoxyadenosine4546-72-967 % similar DA-CE phosphoramidite98796-53-366 % similar 5′-O-[Bis(4-methoxyphenyl)phenylmethyl]-2′-deoxy-N-(2-methyl-1-oxopropyl)guanosine68892-41-163 % similar N-Benzoyl-5′-O-(4,4′-dimethoxytrityl)-2′-deoxycytidine67219-55-058 % similar 5′-O-(4,4′-Dimethoxytrityl)thymidine40615-39-252 % similar N6-Benzoyladenosine4546-55-849 % similar 5'-O-(4,4'-Dimethoxytrityl)-N6-phenoxyacetyl-2'-deoxyadenosine-3'-(2-cyanoethyl-N,N-diisopropyl)phosphoramidite110543-74-345 % similar Guanosine, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-deoxy-N-(2-methyl-1-oxopropyl)-, 3′-[2-cyanoethyl N,N-bis(1-methylethyl)phosphoramidite]93183-15-444 % similar

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

Elsewhere

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