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Acyclovir EP Impurity K

CAT: 1596-AR-A01357-03Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-A01357-03Size:25 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1797131-64-6
Synonyms
2,2'- (methylenebis (azanediyl) ) bis (9- ((2-hydroxyethoxy) methyl) -3H-purin-6 (9H) -one) ;9,9’-[1,2-Ethanediylbis (oxymethylene) ]bisguanine; Aciclovir Impurity J; 9,9’-[1,2-Ethanediylbis (oxymethylene) ]bis[2-amino-1,9-dihydro-6H-purin-6-one]
Molecular Formula
C17H22N10O6
Molecular Weight
462.43
API Name
Acyclovir

Chemical Information

2,2'-(methylenebis(azanediyl))bis(9-((2-hydroxyethoxy)methyl)-1H-purin-6(9H)-one)
CAS Number1797131-64-6
PubChem CID135566015
IUPAC Name9-(2-hydroxyethoxymethyl)-2-[[[9-(2-hydroxyethoxymethyl)-6-oxo-1H-purin-2-yl]amino]methylamino]-1H-purin-6-one
Molecular FormulaC17H22N10O6
Molecular Weight462.4
XLogP-3.2
Topological Polar Surface Area202
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count10
Rotatable Bond Count12
Heavy Atom Count33
Formal Charge0
Complexity719
SMILES
C1=NC2=C(N1COCCO)N=C(NC2=O)NCNC3=NC4=C(C(=O)N3)N=CN4COCCO
InChI
InChI=1S/C17H22N10O6/c28-1-3-32-8-26-6-20-10-12(26)22-16(24-14(10)30)18-5-19-17-23-13-11(15(31)25-17)21-7-27(13)9-33-4-2-29/h6-7,28-29H,1-5,8-9H2,(H2,18,22,24,30)(H2,19,23,25,31)
InChIKey
DHOYYKLYLLHMRJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,2'-(methylenebis(azanediyl))bis(9-((2-hydroxyethoxy)methyl)-1H-purin-6(9H)-one)
CAS: 1797131-64-6
CID: 135566015
Formula: C17H22N10O6
MW: 462.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight462.4
XLogP3-3.2
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count10
Rotatable Bond Count12
Exact Mass462.17237846
Monoisotopic Mass462.17237846
Topological Polar Surface Area202 Ų
Heavy Atom Count33
Formal Charge0
Complexity719
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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