2-Fluoroadenosine

C₁₀H₁₂FN₅O₄CAS 146-78-1285.24 g/mol

Open in Covalent MOL file

Alcohol Aryl halide Ether Primary amine

Properties

Molecular formula: C₁₀H₁₂FN₅O₄
Molar mass: 285.24 g/mol
Exact mass: 285.0873 Da
Melting point: 200 °C (decomposes)
logP: -1.84Crippen estimate
Polar surface area: 139.5 Å²
H-bond donors / acceptors: 4 / 8
Rotatable bonds: 2
Stereocentres: R, R, S, Rin SMILES atom order

Identifiers

CAS number

146-78-1

SMILES

Nc1nc(F)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O

InChIKey

HBUBKKRHXORPQB-UUOKFMHZSA-N

InChI

InChI=1S/C10H12FN5O4/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,14,15)/t3-,5-,6-,9-/m1/s1

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

Names and synonyms

3 names

Adenosine, 2-fluoro-
2-Fluoro-9-β-D-ribofuranosyladenine
NSC 30605

Work with 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

2-Chloroadenosine146-77-075 % similar Isoguanosine1818-71-975 % similar Adenosine, 2-chloro-, hydrate (2:1)81012-94-470 % similar Fludarabine phosphate75607-67-969 % similar Vidarabine5536-17-469 % similar Adenosine58-61-769 % similar Clofarabine123318-82-163 % similar 2-Aminoadenosine2096-10-860 % similar

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

Same formula

2-Amino-9-(2-deoxy-2-fluoro-β-D-arabinofuranosyl)-1,9-dihydro-6H-purin-6-one103884-98-6 3′-Deoxy-3′-fluoroguanosine123402-21-1 Fludarabine21679-14-1

Elsewhere

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