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Acyclovir

CAT: 0862-GA7641-1gSize: 1 gDry Ice: NoHazardous: No
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CAT#:0862-GA7641-1gSize:1 g
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CAS Number
59277-89-3
EC Number
261-685-1
MDL Number
MFCD00057880
HS Code
29335995
Purity
99.00%
Molecular Formula
C8H11N5O3
Molecular Weight
225.2
Storage Conditions
-20°C
Hazardous Class
Not hazardous

Chemical Information

Acyclovir

Acyclovir is an oxopurine that is guanine substituted by a (2-hydroxyethoxy)methyl substituent at position 9. Used in the treatment of viral infections. It has a role as an antimetabolite and an antiviral drug. It is a member of 2-aminopurines and an oxopurine. It is functionally related to a guanine.

CAS Number59277-89-3
PubChem CID135398513
IUPAC Name2-amino-9-(2-hydroxyethoxymethyl)-1H-purin-6-one
Molecular FormulaC8H11N5O3
Molecular Weight225.20
XLogP-1.9
Topological Polar Surface Area115
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count16
Formal Charge0
Complexity308
SMILES
C1=NC2=C(N1COCCO)N=C(NC2=O)N
InChI
InChI=1S/C8H11N5O3/c9-8-11-6-5(7(15)12-8)10-3-13(6)4-16-2-1-14/h3,14H,1-2,4H2,(H3,9,11,12,15)
InChIKey
MKUXAQIIEYXACX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Acyclovir
CAS: 59277-89-3
CID: 135398513
Formula: C8H11N5O3
MW: 225.20
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight225.20
XLogP3-1.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass225.08618923
Monoisotopic Mass225.08618923
Topological Polar Surface Area115 Ų
Heavy Atom Count16
Formal Charge0
Complexity308
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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