2′,3′,5′-Tri-O-acetyl-2-fluoroadenosine

C₁₆H₁₈FN₅O₇CAS 15811-32-2411.35 g/mol

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Aryl halide Ester Ether Primary amine

Properties

Molecular formula: C₁₆H₁₈FN₅O₇
Molar mass: 411.35 g/mol
Exact mass: 411.1190 Da
Melting point: 210–212 °C
logP: -0.13Crippen estimate
Polar surface area: 157.8 Å²
H-bond donors / acceptors: 1 / 11
Rotatable bonds: 5
Stereocentres: R, R, R, Rin SMILES atom order

Identifiers

CAS number

15811-32-2

SMILES

CC(=O)OC[C@H]1O[C@@H](n2cnc3c(N)nc(F)nc32)[C@H](OC(C)=O)[C@@H]1OC(C)=O

InChIKey

LDICZLRLPNWOIS-SDBHATRESA-N

InChI

InChI=1S/C16H18FN5O7/c1-6(23)26-4-9-11(27-7(2)24)12(28-8(3)25)15(29-9)22-5-19-10-13(18)20-16(17)21-14(10)22/h5,9,11-12,15H,4H2,1-3H3,(H2,18,20,21)/t9-,11-,12-,15-/m1/s1

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Names and synonyms

2 names

Adenosine, 2-fluoro-, 2′,3′,5′-triacetate
NSC 108853

Work with 2′,3′,5′-Tri-O-acetyl-2-fluoroadenosine

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

(2R,3R,4R,5R)-2-(Acetoxymethyl)-5-(4-amino-2-oxo-1,3,5-triazin-1(2H)-yl)tetrahydrofuran-3,4-diyl diacetate10302-78-062 % similar 2′,3′,5′-Tri-O-acetylinosine3181-38-262 % similar Tri-O-acetylguanosine6979-94-854 % similar 2-Fluoroadenosine146-78-150 % similar Fludarabine21679-14-150 % similar 2′,3′,5′-Tri-O-acetyluridine4105-38-850 % similar Fludarabine phosphate75607-67-949 % similar 1,2,3,5-Tetra-O-acetyl-β-D-ribofuranose13035-61-543 % similar

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

Elsewhere

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