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Acyclovir monophosphate

CAT: 0013-GTR19187755-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19187755-03Size:100 mg
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Description
Acyclovir monophosphate is a potent antiviral and antitumor agent that inhibits herpes simplex virus (HSV) DNA polymerase, terminating viral DNA chain elongation. It is widely used in antiviral research and has been investigated in both in vitro and in vivo models for its activity against HSV infections and certain tumors.
CAS Number
66341-16-0
Field of Research
Infectious Disease & Virology, Pharmacology & Drug Discovery
Smiles
CCCC1 (CCC) NN (C (=S) N1) C1=CC=C (Cl) C=C1
Molecular Formula
C8H12N5O6P
Molecular Weight
305.18
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Acyclovir monophosphate

structure given in first source

CAS Number66341-16-0
PubChem CID135422933
IUPAC Name2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]ethyl dihydrogen phosphate
Molecular FormulaC8H12N5O6P
Molecular Weight305.18
XLogP-3
Topological Polar Surface Area161
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Heavy Atom Count20
Formal Charge0
Complexity453
SMILES
C1=NC2=C(N1COCCOP(=O)(O)O)N=C(NC2=O)N
InChI
InChI=1S/C8H12N5O6P/c9-8-11-6-5(7(14)12-8)10-3-13(6)4-18-1-2-19-20(15,16)17/h3H,1-2,4H2,(H2,15,16,17)(H3,9,11,12,14)
InChIKey
KUOAJOVOKFATQE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Acyclovir monophosphate
CAS: 66341-16-0
CID: 135422933
Formula: C8H12N5O6P
MW: 305.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight305.18
XLogP3-3
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass305.05252012
Monoisotopic Mass305.05252012
Topological Polar Surface Area161 Ų
Heavy Atom Count20
Formal Charge0
Complexity453
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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