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Acyclovir EP Impurity J

CAT: 1596-AR-A01356-03Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-A01356-03Size:25 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
166762-90-9
Synonyms
9,9'- ((ethane-1,2-diylbis (oxy) ) bis (methylene) ) bis (2-amino-3H-purin-6 (9H) -one)
Molecular Formula
C14H16N10O4
Molecular Weight
388.35
API Name
Acyclovir

Chemical Information

O-((Guanin-9-yl)methyl) acyclovir
CAS Number166762-90-9
PubChem CID135565046
IUPAC Name2-amino-9-[2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]ethoxymethyl]-1H-purin-6-one
Molecular FormulaC14H16N10O4
Molecular Weight388.34
XLogP-2.7
Topological Polar Surface Area189
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Heavy Atom Count28
Formal Charge0
Complexity642
SMILES
C1=NC2=C(N1COCCOCN3C=NC4=C3N=C(NC4=O)N)N=C(NC2=O)N
InChI
InChI=1S/C14H16N10O4/c15-13-19-9-7(11(25)21-13)17-3-23(9)5-27-1-2-28-6-24-4-18-8-10(24)20-14(16)22-12(8)26/h3-4H,1-2,5-6H2,(H3,15,19,21,25)(H3,16,20,22,26)
InChIKey
QPOMYCBJDYQVEA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of O-((Guanin-9-yl)methyl) acyclovir
CAS: 166762-90-9
CID: 135565046
Formula: C14H16N10O4
MW: 388.34
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight388.34
XLogP3-2.7
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass388.13559903
Monoisotopic Mass388.13559903
Topological Polar Surface Area189 Ų
Heavy Atom Count28
Formal Charge0
Complexity642
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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