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9-(2-Hydroxyethyl)guanine

CAT: 0572-TRC-H942035-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-H942035-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
23169-33-7
Synonyms
6H-Purin-6-one, 2-amino-1,9-dihydro-9-(2-hydroxyethyl)-; Guanine, 9-(2-hydroxyethyl)- (8CI); 2-Amino-1,9-dihydro-9-(2-hydroxyethyl)-6H-purin-6-one; 9-(2-Hydroxyethyl)guanine; 9-(2'-Hydroxyethyl)guanine; NSC 40668; 32W88; GW 318209X; Ph Eur Aciclovir Impurity P; 32W88
Hazard Statement
Causes skin irritation
Purity
>95% (HPLC)
Smiles
NC1=Nc2c(ncn2CCO)C(=O)N1
Molecular Formula
C7 H9 N5 O2
Molecular Weight
195.18
InChI
InChI=1S/C7H9N5O2/c8-7-10-5-4(6(14)11-7)9-3-12(5)1-2-13/h3,13H,1-2H2,(H3,8,10,11,14)
Additionnal Information
IUPAC name: 2-amino-9-(2-hydroxyethyl)-1H-purin-6-one
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

9-(2'-Hydroxyethyl)guanine
CAS Number23169-33-7
PubChem CID135467399
IUPAC Name2-amino-9-(2-hydroxyethyl)-1H-purin-6-one
Molecular FormulaC7H9N5O2
Molecular Weight195.18
XLogP-1.6
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)N=C(NC2=O)N
InChI
InChI=1S/C7H9N5O2/c8-7-10-5-4(6(14)11-7)9-3-12(5)1-2-13/h3,13H,1-2H2,(H3,8,10,11,14)
InChIKey
ZXOYFKBSRZDBBD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 9-(2'-Hydroxyethyl)guanine
CAS: 23169-33-7
CID: 135467399
Formula: C7H9N5O2
MW: 195.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight195.18
XLogP3-1.6
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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