3′,5′-Di-O-acetyl-5-iodo-2′-deoxyuridine

C₁₃H₁₅IN₂O₇CAS 1956-30-5438.17 g/mol

Open in Covalent MOL file

Aryl halide Ester Ether Phenol

Properties

Molecular formula: C₁₃H₁₅IN₂O₇
Molar mass: 438.17 g/mol
Exact mass: 437.9924 Da
Melting point: 156–157 °C
logP: 0.34Crippen estimate
Polar surface area: 117.0 Å²
H-bond donors / acceptors: 1 / 8
Rotatable bonds: 4
Stereocentres: R, R, Sin SMILES atom order

Identifiers

CAS number

1956-30-5

SMILES

CC(=O)OC[C@H]1O[C@@H](n2cc(I)c(O)nc2=O)C[C@@H]1OC(C)=O

InChIKey

LVDYIZDWXVFTQG-HBNTYKKESA-N

InChI

InChI=1S/C13H15IN2O7/c1-6(17)21-5-10-9(22-7(2)18)3-11(23-10)16-4-8(14)12(19)15-13(16)20/h4,9-11H,3,5H2,1-2H3,(H,15,19,20)/t9-,10+,11+/m0/s1

Weigh it out

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

Names and synonyms

1 names

Uridine, 2′-deoxy-5-iodo-, 3′,5′-diacetate

Work with 3′,5′-Di-O-acetyl-5-iodo-2′-deoxyuridine

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

5-Iodo-2′-deoxyuridine54-42-255 % similar 2′,3′,5′-Tri-O-acetyluridine4105-38-849 % similar 5-Iodouridine1024-99-344 % similar Telbivudine3424-98-444 % similar Thymidine50-89-544 % similar 3′-Fluorothymidine25526-93-643 % similar (2R,3R,4R,5R)-2-(Acetoxymethyl)-5-(4-amino-2-oxo-1,3,5-triazin-1(2H)-yl)tetrahydrofuran-3,4-diyl diacetate10302-78-043 % similar Fialuridine69123-98-441 % similar

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

Elsewhere

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