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N7-(2-Hydroxyethyl)guanine-d4

CAT: 0572-TRC-H942202-2.5MGSize: 2.5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-H942202-2.5MGSize:2.5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1246818-81-4
Synonyms
2-Amino-1,7-dihydro-7-(2-hydroxyethyl-d4)-6H-purin-6-one; 7-(2-Hydroxyethyl-d4)guanine; 7-(β-Hydroxyethyl-d4)guanine; NSC 637506-d4;
Hazard Statement
Causes skin irritation
Smiles
O=C1C2=C(N=CN2C([2H])([2H])C([2H])([2H])O)N=C(N)N1
Molecular Formula
C7H5D4N5O2
Molecular Weight
199.2
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

N7-(2-Hydroxyethyl)guanine-d4
CAS Number1246818-81-4
PubChem CID136242379
IUPAC Name2-amino-7-(1,1,2,2-tetradeuterio-2-hydroxyethyl)-1H-purin-6-one
Molecular FormulaC7H9N5O2
Molecular Weight199.20
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
[2H]C([2H])(C([2H])([2H])O)N1C=NC2=C1C(=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)/i1D2,2D2
InChIKey
OCAWYYAMQRJCOY-LNLMKGTHSA-N
Chemical Structure
2D Structure
2D structure of N7-(2-Hydroxyethyl)guanine-d4
CAS: 1246818-81-4
CID: 136242379
Formula: C7H9N5O2
MW: 199.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight199.20
XLogP3-1.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass199.10073153
Monoisotopic Mass199.10073153
Topological Polar Surface Area106 Ų
Heavy Atom Count14
Formal Charge0
Complexity279
Isotope Atom Count4
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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MBS6120131-01N7-(2-Hydroxyethyl)guanine-d4
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sc-491584N7-[(2-Hydroxyethoxy)methyl)guanine-d4
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