2-Fluoroadenosine

HCID 8975CAS 146-78-1

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Basic information

Standard SMILES: Nc1nc(F)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
InChIKey: HBUBKKRHXORPQB-UUOKFMHZSA-N
Molecular formula: C10H12FN5O4
Average molar mass: 285.23 g/mol
Monoisotopic mass: 285.08733208

Overview

2-fluoroadenosine is a member of adenosines and an organofluorine compound.

Names & identifiers

Preferred name: 2-Fluoroadenosine
IUPAC: (2R,3R,4S,5R)-2-(6-amino-2-fluoropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol

Names & synonyms

2-Fluoroadenosine146-78-1ADENOSINE, 2-FLUORO-6-Amino-2-fluoro-9-beta-D-ribofuranosylpurinePurine, 6-amino-2-fluoro-9-beta-D-ribofuranosyl-0S67290CRJCHEBI:39740DTXSID70163252NSC-30605RefChem:87139DTXCID0085743633-923-8

Show more names

(2R,3R,4S,5R)-2-(6-Amino-2-fluoro-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diolMFCD008663942-(6-AMINO-2-FLUORO-PURIN-9-YL)-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-3,4-DIOL2-Far2-Fas(2R,3R,4S,5R)-2-(6-amino-2-fluoropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diolCHEMBL290077SRI 727

Database identifiers

CAS: 146-78-1
PubChem CID: 8975
DTXSID: DTXSID70163252
ChEMBL: CHEMBL290077
ChEBI: CHEBI:39740
UNII: 0S67290CRJ
EC Number: 633-923-8
Nikkaji: J73.405E

Properties

Computed structural properties

XLogP: -0.6
Topological polar surface area: 140 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 9
Rotatable bonds: 2
Heavy atoms: 20
Formal charge: 0
Complexity: 367

Experimental & physicochemical properties

DrugsPharmaceuticals -> Listed in ZINC15

LogP-0.8

Solubility>42.8 [ug/mL] (The mean of the results at pH 7.4)

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

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, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.