2'-Fluoro-2'-deoxyadenosine

C₁₀H₁₂FN₅O₃CAS 64183-27-3269.24 g/mol

Open in Covalent MOL file

Alcohol Alkyl halide Ether Primary amine

Properties

Molecular formula: C₁₀H₁₂FN₅O₃
Molar mass: 269.24 g/mol
Exact mass: 269.0924 Da
logP: -1.00Crippen estimate
Polar surface area: 119.3 Å²
H-bond donors / acceptors: 3 / 7
Rotatable bonds: 2
Stereocentres: R, R, R, Rin SMILES atom order

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

64183-27-3

SMILES

C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)F)N

InChIKey

ZGYYPTJWJBEXBC-QYYRPYCUSA-N

InChI

InChI=1S/C10H12FN5O3/c11-5-7(18)4(1-17)19-10(5)16-3-15-6-8(12)13-2-14-9(6)16/h2-5,7,10,17-18H,1H2,(H2,12,13,14)/t4-,5-,7-,10-/m1/s1

Weigh it out

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

Work with 2'-Fluoro-2'-deoxyadenosine

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

(2R,3R,4S,5R)-5-(6-Amino-9H-purin-9-yl)-4-fluoro-2-(hydroxymethyl)tetrahydrofuran-3-ol20227-41-2Diastereomer

Similar compounds

Vidarabine5536-17-479 % similar Adenosine58-61-779 % similar Clofarabine123318-82-172 % similar 2′-O-Methyladenosine2140-79-672 % similar 3′-O-Methyladenosine10300-22-869 % similar 2'-O-Moe-adenosine168427-74-564 % similar 3′-Azido-3′-deoxyadenosine58699-62-063 % similar 2'-Deoxy-2'-fluoroguanosine78842-13-462 % similar

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

Same formula

3'-Fluoro-3'-deoxyadenosine75059-22-2

Elsewhere

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