N-Benzoyl-5′-O-(4,4′-dimethoxytrityl)-2′-deoxycytidine

C₃₇H₃₅N₃O₇CAS 67219-55-0633.70 g/mol

Open in Covalent MOL file

Alcohol Ether Phenol

Properties

Molecular formula: C₃₇H₃₅N₃O₇
Molar mass: 633.70 g/mol
Exact mass: 633.2475 Da
logP: 5.00Crippen estimate
Polar surface area: 124.6 Å²
H-bond donors / acceptors: 2 / 8
Rotatable bonds: 10
Stereocentres: R, R, Sin SMILES atom order

Identifiers

CAS number

67219-55-0

SMILES

COc1ccc(C(OC[C@H]2O[C@@H](n3ccc(=NC(=O)c4ccccc4)nc3O)C[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1

InChIKey

MYSNCIZBPUPZMQ-VOTWKOMSSA-N

InChI

InChI=1S/C37H35N3O7/c1-44-29-17-13-27(14-18-29)37(26-11-7-4-8-12-26,28-15-19-30(45-2)20-16-28)46-24-32-31(41)23-34(47-32)40-22-21-33(39-36(40)43)38-35(42)25-9-5-3-6-10-25/h3-22,31-32,34,41H,23-24H2,1-2H3,(H,38,39,42,43)/t31-,32+,34+/m0/s1

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Type any one amount. The others follow from the molar mass.

Names and synonyms

4 names

Cytidine, N-benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-deoxy-
Cytidine, N-benzoyl-5′-O-[α,α-bis(p-methoxyphenyl)benzyl]-2′-deoxy-
N-Benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-deoxycytidine
N4-Benzoyl-5′-O-(4,4′-dimethoxytrityl)-2′-deoxycytidine

Work with N-Benzoyl-5′-O-(4,4′-dimethoxytrityl)-2′-deoxycytidine

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

Cytidine, N-benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-deoxy-, 3′-[2-cyanoethyl N,N-bis(1-methylethyl)phosphoramidite]102212-98-666 % similar N4-Benzoyl-2′-deoxycytidine4836-13-965 % similar 5′-O-(4,4′-Dimethoxytrityl)thymidine40615-39-258 % similar N-Benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-deoxyadenosine64325-78-658 % similar 5′-O-[Bis(4-methoxyphenyl)phenylmethyl]-2′-deoxy-N-(2-methyl-1-oxopropyl)guanosine68892-41-154 % similar N-Benzoylcytidine13089-48-048 % similar Cytidine, N-benzoyl-2′-deoxy-2′-fluoro-2′-methyl-, 3′,5′-dibenzoate, (2′R)-817204-32-346 % similar 5′-O-(4,4′-Dimethoxytrityl)-2′-deoxyuridine-3′-O-[O-(2-cyanoethyl)-N,N′-diisopropylphosphoramidite]109389-30-243 % similar

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

Elsewhere

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