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Fludarabine Phosphate EP Impurity B

CAT: 1299-RM-F041802-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-F041802-01Size:10 mg
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CAS Number
3373-53-3
Synonyms
6-amino-7H-purin-2-ol
Molecular Formula
C5H5N5O
Molecular Weight
151.13
Target Alternative Name
Fludarabine
Product Name Synonym
6-amino-7H-purin-2-ol

Chemical Information

Isoguanine

Isoguanine is an oxopurine that is 3,7-dihydro-purin-2-one in which the hydrogen at position 6 is substituted by an amino group.

CAS Number3373-53-3
PubChem CID76900
IUPAC Name6-amino-1,7-dihydropurin-2-one
Molecular FormulaC5H5N5O
Molecular Weight151.13
XLogP-1.7
Topological Polar Surface Area91.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count11
Formal Charge0
Complexity313
SMILES
C1=NC2=NC(=O)NC(=C2N1)N
InChI
InChI=1S/C5H5N5O/c6-3-2-4(8-1-7-2)10-5(11)9-3/h1H,(H4,6,7,8,9,10,11)
InChIKey
DRAVOWXCEBXPTN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Isoguanine
CAS: 3373-53-3
CID: 76900
Formula: C5H5N5O
MW: 151.13
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight151.13
XLogP3-1.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass151.04940980
Monoisotopic Mass151.04940980
Topological Polar Surface Area91.9 Ų
Heavy Atom Count11
Formal Charge0
Complexity313
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