chempirical

Acyclovir

C8H11N5O3CAS 59277-89-3225.21 g/mol

Open in Covalent MOL file
NHNHONNOOHNH
AlcoholEtherPhenol

Properties

Molecular formula
C8H11N5O3
Molar mass
225.21 g/mol
Exact mass
225.0862 Da
Melting point
256.5–257 °C
logP
-1.09Crippen estimate
Polar surface area
120.0 Ų
H-bond donors / acceptors
4 / 6
Rotatable bonds
4

Identifiers

CAS number
59277-89-3
SMILES
N=c1nc(O)c2ncn(COCCO)c2[nH]1
InChIKey
MKUXAQIIEYXACX-UHFFFAOYSA-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)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

38 names · show all
  • 6H-Purin-6-one, 2-amino-1,9-dihydro-9-[(2-hydroxyethoxy)methyl]-
  • 2-Amino-1,9-dihydro-9-[(2-hydroxyethoxy)methyl]-6H-purin-6-one
  • Acycloguanosine
  • 9-(2-Hydroxyethoxymethyl)guanine
  • Aciclovir
  • Zovirax
  • BW 248U
  • ACV
  • Gerpevir
  • Herpevir
  • Avirase
  • Virorax
  • Acicloftal
  • Cargosil
  • Vipral
  • Poviral
  • Zyclir
  • Acyclo V
  • Wellcome 248U
  • NSC 645011
  • BioVir I
  • BioVir II
  • Virovir
  • Novirus
  • Lovir
  • Rouz-aciclovir
  • Zirax
  • Virless
  • Virax
  • Vicclox
  • Acivir
  • Axiluowei
  • 2-Amino-9-[(2-hydroxyethoxy)methyl]-6,9-dihydro-3H-purin-6-one
  • 2-Amino-9-(2-hydroxy-ethoxymethyl)-1,9-dihydro-purin-6-one
  • 2-Amino-9-((2-hydroxyethoxy)methyl)-1H-purin-6(9H)-one
  • 2-Amino-9-(2-hydroxy-ethoxymethyl)-3,9-dihydro-purin-6-one
  • 2-Amino-9-[(2-hydroxyethoxy)methyl]-9H-purin-6-ol
  • 2-Amino-9-(2-hydroxyethoxymethyl)-3H-purin-6-one

Work with Acyclovir

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Acyclovir sodium69657-51-869 % similar Ganciclovir82410-32-066 % similar Valacyclovir124832-26-458 % similar Penciclovir39809-25-158 % similar Valacyclovir hydrochloride124832-27-555 % similar 9-[[2-(Acetyloxy)-1-(hydroxymethyl)ethoxy]methyl]-2-amino-1,9-dihydro-6H-purin-6-one88110-89-852 % similar N-[(Phenylmethoxy)carbonyl]-L-valine 2-[(2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl)methoxy]ethyl ester124832-31-149 % similar Dideoxyguanosine85326-06-348 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook