chempirical

5′-O-[Bis(4-methoxyphenyl)phenylmethyl]-2′-deoxy-N-(2-methyl-1-oxopropyl)guanosine

C35H37N5O7CAS 68892-41-1639.71 g/mol

Open in Covalent MOL file
OOONNOHNNHONHOO
AlcoholEtherPhenol

Properties

Molecular formula
C35H37N5O7
Molar mass
639.71 g/mol
Exact mass
639.2693 Da
logP
5.45Crippen estimate
Polar surface area
153.6 Ų
H-bond donors / acceptors
3 / 10
Rotatable bonds
11
Stereocentres
R, R, Sin SMILES atom order

Identifiers

CAS number
68892-41-1
SMILES
COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(O)nc(N=C(O)C(C)C)nc43)C[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1
InChIKey
RMQXDNUKLIDXOS-ZGIBFIJWSA-N
InChI
InChI=1S/C35H37N5O7/c1-21(2)32(42)38-34-37-31-30(33(43)39-34)36-20-40(31)29-18-27(41)28(47-29)19-46-35(22-8-6-5-7-9-22,23-10-14-25(44-3)15-11-23)24-12-16-26(45-4)17-13-24/h5-17,20-21,27-29,41H,18-19H2,1-4H3,(H2,37,38,39,42,43)/t27-,28+,29+/m0/s1

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Names and synonyms

2 names
  • Guanosine, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-deoxy-N-(2-methyl-1-oxopropyl)-
  • 5′-O-(Dimethoxytrityl)-N-isobutyryldeoxyguanosine

Work with 5′-O-[Bis(4-methoxyphenyl)phenylmethyl]-2′-deoxy-N-(2-methyl-1-oxopropyl)guanosine

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

Guanosine, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-deoxy-N-(2-methyl-1-oxopropyl)-, 3′-[2-cyanoethyl N,N-bis(1-methylethyl)phosphoramidite]93183-15-469 % similar N-Benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-deoxyadenosine64325-78-663 % similar 5′-O-(4,4′-Dimethoxytrityl)thymidine40615-39-256 % similar N-Benzoyl-5′-O-(4,4′-dimethoxytrityl)-2′-deoxycytidine67219-55-054 % similar DA-CE phosphoramidite98796-53-345 % similar DMT-dT phosphoramidite98796-51-140 % similar 5'-O-(4,4'-Dimethoxytrityl)-N6-phenoxyacetyl-2'-deoxyadenosine-3'-(2-cyanoethyl-N,N-diisopropyl)phosphoramidite110543-74-340 % similar Cytidine, N-benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-deoxy-, 3′-[2-cyanoethyl N,N-bis(1-methylethyl)phosphoramidite]102212-98-639 % similar

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

Elsewhere

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