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Fludarabine Phosphate EP Impurity D

CAT: 1299-RM-F041804-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-F041804-01Size:10 mg
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CAS Number
700-49-2
Synonyms
2-fluoro-7H-purin-6-amine
Molecular Formula
C5H4FN5
Molecular Weight
153.12
Target Alternative Name
Fludarabine
Product Name Synonym
2-fluoro-7H-purin-6-amine

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...
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