Basic information
- CAS
731-98-6- Standard SMILES
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CF)[C@@H](O)[C@H]1O- InChIKey
QPVLKMICBYRPSX-KQYNXXCUSA-N- Molecular formula
- C10H12FN5O3
- Average molar mass
- 269.23 g/mol
- Monoisotopic mass
- 269.09241742
Overview
5'-deoxy-5'-fluoroadenosine is a member of adenosines and an organofluorine compound.
Names & identifiers
- Preferred name
- 5'-Deoxy-5'-fluoroadenosine
- IUPAC
- (2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-(fluoromethyl)oxolane-3,4-diol
- English name
- 5'-deoxy-5'-fluoroadenosine
- Molecular formula
- C10H12FN5O3
- Molecular weight
- 269.23
Names & synonyms
5'-FLUORO-5'-DEOXYADENOSINE5'-deoxy-5'-fluoroadenosine731-98-65'-FDA cpd(2R,3R,4S,5S)-2-(6-Aminopurin-9-yl)-5-(fluoromethyl)oxolane-3,4-diol8LJ6NC6D44CHEBI:12060DTXSID701031716RefChem:100782DTXCID7015167265'-Fluoro-5'-deoxy-adenosineAdenosine, 5'-deoxy-5'-fluoro-
Show more names
5''-Fluoro-5''-deoxyadenosine, 10 mM in DMSO
(2R,3R,4S,5S)-2-(6-Amino-9H-purin-9-yl)-5-(fluoromethyl)tetrahydrofuran-3,4-diol6-amino-9-(5-deoxy-5-fluoro-beta-D-ribofuranosyl)-9H-purine9-(5-deoxy-5-fluoro-beta-D-ribofuranosyl)-9H-purin-6-amine5FDUNII-8LJ6NC6D445'-Fluoro -5'-deoxyadenosineorb1689847orb2900901
Database identifiers
- CAS
731-98-6- PubChem CID
- 448403
- DTXSID
DTXSID701031716- ChEMBL
CHEMBL1212979- ChEBI
CHEBI:12060- UNII
- 8LJ6NC6D44
- Nikkaji
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 338
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Physicochemical properties
- Melting point
- 205 · 205-206 °C(Solv: methanol (67-56-1))
- Boiling point
- 624.3 · 624.3±65.0 °C(Predicted)
- Density
- 2.01 · 2.01±0.1 g/cm3(Predicted)
- form
- Solid
- pka
- 13 · 13.00±0.70(Predicted)
- color
- Light yellow to light brown
- FDA UNII
- 8 LJ6NC6D44 · 8LJ6NC6D44
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P403+P233-P405-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P403+P233-P405-P501
Chemistry & industry
Applications
Uses5′-Fluoro-5′-deoxyadenosine is an active compound.
Upstream & downstream products
Downstream products
Suppliers15 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
攀纳燊（河南）医药科学技术有限公司0371-65325800 13700860222 · [email protected]
United Life Science020-82099279 18988968278 · [email protected]
上海梅凯科技有限公司021-68689288 15300790979 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
杭州六可生物科技有限公司+86-571-86912261 19975279805 · [email protected]
BOC Sciences16314854226 · [email protected]
北京秦岭医药科技有限公司010-61241352 18901327973 · [email protected]
成都标样生物科技有限公司028-81700200 13308200041 · [email protected]
马鞍山致研生物医药科技有限公司
Related reactions
1 records
Compound notes
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