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N7- (2-Hydroxyethyl) guanine

CAT: 0024-sc-470666Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-470666Size:100 mg
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CAS Number
53498-52-5

Chemical Information

N(7)-Hydroxyethylguanine
CAS Number53498-52-5
PubChem CID135484986
IUPAC Name2-amino-7-(2-hydroxyethyl)-1H-purin-6-one
Molecular FormulaC7H9N5O2
Molecular Weight195.18
XLogP-1.9
Topological Polar Surface Area106
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count14
Formal Charge0
Complexity279
SMILES
C1=NC2=C(N1CCO)C(=O)NC(=N2)N
InChI
InChI=1S/C7H9N5O2/c8-7-10-5-4(6(14)11-7)12(1-2-13)3-9-5/h3,13H,1-2H2,(H3,8,10,11,14)
InChIKey
OCAWYYAMQRJCOY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N(7)-Hydroxyethylguanine
CAS: 53498-52-5
CID: 135484986
Formula: C7H9N5O2
MW: 195.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight195.18
XLogP3-1.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass195.07562455
Monoisotopic Mass195.07562455
Topological Polar Surface Area106 Ų
Heavy Atom Count14
Formal Charge0
Complexity279
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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Alternative Products

CatalogName
TRC-H942035-25MG9-(2-Hydroxyethyl)guanine
TRC-H942200-100MGN7-(2-Hydroxyethyl)guanine
013784N7- (2-Hydroxyethyl) guanine
0137609- (2-Hydroxyethyl) guanine
HY-W740954-01N7- (2-Hydroxyethyl) guanine-d4
TRC-H942202-2.5MGN7-(2-Hydroxyethyl)guanine-d4
TRC-C175875-50MGN7-(2-Carbamoyl-2-hydroxyethyl)guanine
TRC-M312630-50MG7-(1-Methyl-2-hydroxyethyl)guanine
CS-T-582667- (1-Methyl-2-hydroxyethyl) guanine-d7
TRC-M312632-10MG7-(1-Methyl-2-hydroxyethyl)guanine-d7 (Major)

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