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2-Fluoroadenine

CAT: 0926-FF05946-02Size: 10 gDry Ice: NoHazardous: No
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CAT#:0926-FF05946-02Size:10 g
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CAS Number
700-49-2
Synonyms
2-Fluoro-6-aminopurine;6-Amino-2-fluoropurine
MDL Number
MFCD01632749
Smiles
C1=NC2=NC (=NC (=C2N1) N) F
Molecular Formula
C5H4FN5
Molecular Weight
153.12 g/mol
Controlled
No

Chemical Information

2-Fluoroadenine

2-fluoroadenine is an organofluorine compound that is adenine in which the hydrogen at position 2 (the carbon between the two nitrogens of the pyrimidine ring) is replaced by a fluorine. It has a role as an antineoplastic agent. It is a member of purines and an organofluorine compound.

CAS Number700-49-2
PubChem CID12790
IUPAC Name2-fluoro-7H-purin-6-amine
Molecular FormulaC5H4FN5
Molecular Weight153.12
XLogP-0.1
Topological Polar Surface Area80.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Heavy Atom Count11
Formal Charge0
Complexity154
SMILES
C1=NC2=NC(=NC(=C2N1)N)F
InChI
InChI=1S/C5H4FN5/c6-5-10-3(7)2-4(11-5)9-1-8-2/h1H,(H3,7,8,9,10,11)
InChIKey
WKMPTBDYDNUJLF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Fluoroadenine
CAS: 700-49-2
CID: 12790
Formula: C5H4FN5
MW: 153.12
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight153.12
XLogP3-0.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Exact Mass153.04507331
Monoisotopic Mass153.04507331
Topological Polar Surface Area80.5 Ų
Heavy Atom Count11
Formal Charge0
Complexity154
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
NF08852-012-Fluoroadenosine
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NA05649-012-Amino-2'-deoxy-2'-fluoroadenosine
ND026022'-Deoxy-5-fluoroadenosine
ND29524-013'-Deoxy-2-fluoroadenosine
ND456382'-Deoxy-4'-ethynyl-2-fluoroadenosine
ND1454522'-Deoxy-2'-fluoroadenosine-5'-monophosphate
NB46150-01N6-Benzoyl-2'-deoxy-2'-fluoroadenosine

Alternative Products

CatalogName
BUP17616-012-Fluoroadenine
BIMN2039-01Arabinofuranosyl-2-fluoroadenine
HY-W008469R-012-Fluoroadenine (Standard)
AR-A05618-012-Fluoroadenine-13C-15N3
TRC-F587202-75MG2-Fluoroadenine-13C2,15N
295908-019- (2'-Deoxy-2'-fluoro-b-D-ribofuranosyl) -2-fluoroadenine
N 073-05β- Nicotinamide- 2'- deoxy- 2'- fluoroadenine dinucleotide (N-2'-F-dAD⁺ / 2'-Fluoro-NAD⁺), sodium salt
MBS256659-01beta- Nicotinamide- 2'- deoxy- 2'- fluoroadenine dinucleotide (N-2'-F-dAD?/ 2'-Fluoro-NAD?), sodium salt
PC1003049-012,2,2-Trifluoroethyl 2,2,2-trichloroacetate
H 038-0052'- , 2''-, 2''', 2'''', 2''''', 2''''''- Hexadeoxy- 2'-, 2'', 2''', 2'''', 2''''', 2''''''- hexafluoro- cyclic hexaadenosine monophosphate (2',2'',2''',2'''',2''''',2''''''-Hexa-F-c-hexadAMP / cFA6), sodium salt

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