2-Amino-9-(2-deoxy-2-fluoro-β-D-arabinofuranosyl)-1,9-dihydro-6H-purin-6-one

C₁₀H₁₂FN₅O₄CAS 103884-98-6285.24 g/mol

Open in Covalent MOL file

Alcohol Alkyl halide Ether Phenol

Properties

Molecular formula: C₁₀H₁₂FN₅O₄
Molar mass: 285.24 g/mol
Exact mass: 285.0873 Da
Melting point: 275–279 °C
logP: -1.47Crippen estimate
Polar surface area: 140.3 Å²
H-bond donors / acceptors: 5 / 7
Rotatable bonds: 2
Stereocentres: R, R, R, Sin SMILES atom order

Identifiers

CAS number

103884-98-6

SMILES

N=c1nc(O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@@H]3F)c2[nH]1

InChIKey

UXUZARPLRQRNNX-AYQXTPAHSA-N

InChI

InChI=1S/C10H12FN5O4/c11-4-6(18)3(1-17)20-9(4)16-2-13-5-7(16)14-10(12)15-8(5)19/h2-4,6,9,17-18H,1H2,(H3,12,14,15,19)/t3-,4+,6-,9-/m1/s1

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

Names and synonyms

2 names

6H-Purin-6-one, 2-amino-9-(2-deoxy-2-fluoro-β-D-arabinofuranosyl)-1,9-dihydro-
NUK-2

Work with 2-Amino-9-(2-deoxy-2-fluoro-β-D-arabinofuranosyl)-1,9-dihydro-6H-purin-6-one

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

Guanosine118-00-381 % similar 9-β-D-Arabinofuranosylguanine38819-10-281 % similar Guanosine85-30-381 % similar 2′-O-Methylguanosine2140-71-873 % similar 3′-O-Methylguanosine10300-27-370 % similar Thioguanosine85-31-463 % similar Nelarabine121032-29-963 % similar 2′,3′-Isopropylideneguanosine362-76-563 % similar

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

Same formula

3′-Deoxy-3′-fluoroguanosine123402-21-1 2-Fluoroadenosine146-78-1 Fludarabine21679-14-1

Elsewhere

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