chempirical

5′-O-(4,4′-Dimethoxytrityl)thymidine

C31H32N2O7CAS 40615-39-2544.60 g/mol

Open in Covalent MOL file
OOONHONOOHO
AlcoholEtherPhenol

Properties

Molecular formula
C31H32N2O7
Molar mass
544.60 g/mol
Exact mass
544.2210 Da
Melting point
122–124 °C
logP
3.93Crippen estimate
Polar surface area
112.3 Ų
H-bond donors / acceptors
2 / 8
Rotatable bonds
9
Stereocentres
R, R, Sin SMILES atom order

Identifiers

CAS number
40615-39-2
SMILES
COc1ccc(C(OC[C@H]2O[C@@H](n3cc(C)c(O)nc3=O)C[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1
InChIKey
UBTJZUKVKGZHAD-UPRLRBBYSA-N
InChI
InChI=1S/C31H32N2O7/c1-20-18-33(30(36)32-29(20)35)28-17-26(34)27(40-28)19-39-31(21-7-5-4-6-8-21,22-9-13-24(37-2)14-10-22)23-11-15-25(38-3)16-12-23/h4-16,18,26-28,34H,17,19H2,1-3H3,(H,32,35,36)/t26-,27+,28+/m0/s1

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Names and synonyms

6 names
  • Thymidine, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-
  • Thymidine, 5′-O-[α,α-bis(p-methoxyphenyl)benzyl]-
  • 5′-O-[Bis(4-methoxyphenyl)phenylmethyl]thymidine
  • 5′-O-(Di-p-methoxytrityl)thymidine
  • 5′-O-(4,4′-Dimethoxytrityl)-2′-deoxythymidine
  • 5′-O-(p,p′-Dimethoxytrityl)thymidine

Work with 5′-O-(4,4′-Dimethoxytrityl)thymidine

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

DMT-dT phosphoramidite98796-51-163 % similar N-Benzoyl-5′-O-(4,4′-dimethoxytrityl)-2′-deoxycytidine67219-55-058 % similar Telbivudine3424-98-458 % similar Thymidine50-89-558 % similar 5′-O-[Bis(4-methoxyphenyl)phenylmethyl]-2′-deoxy-N-(2-methyl-1-oxopropyl)guanosine68892-41-156 % similar Disodium 5′-dtmp33430-62-553 % similar N-Benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-deoxyadenosine64325-78-652 % similar Thymidine 5′-diphosphate trisodium salt95648-78-551 % similar

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

Elsewhere

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