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Home> Encyclopedia > Hot Product Listed 6   > 6H-Purin-6-one,2-amino-1,9-dihydro-9-[4-hydroxy-3-(hydroxymethyl)butyl]-, sodium salt (1:1)
86812-21-7 structure

6H-Purin-6-one,2-amino-1,9-dihydro-9-[4-hydroxy-3-(hydroxymethyl)butyl]-, sodium salt (1:1)

Iupac Name:1-(2-methylphenyl)ethenylphosphonic acid
CAS No.:86812-21-7
EINECS(EC#): 223-615-8
Molecular Weight:198.158
Molecular Formula:C13H12N2O5S (isomer)
Names and Identifiers
Synonyms

1,9-dihydro-2-amino-9-(4-hydroxy-3- -6h-purin-6-onemonosodiumsalt 1,9-dihydro-2-amino-9-(4-hydroxy-3-(hydroxymethyl)butyl)-6h-purin-6-one monosodium salt 2-amino-1,9-dihydro-9-(4-hydroxy-3-(hydroxymethyl)butyl)-6h-purin-6-one monosodium salt 6h-purin-6-one, 1,9-dihydro-2-amino-9-(4-hydroxy-3-(hydroxymethyl)butyl)-, monosodium salt 6H-Purin-6-one,2-amino-1,9-dihydro-9-[4-hydroxy-3-(hydroxymethyl)butyl]-, monosodium salt(9CI) 9-(4-hydroxy-3-(hydroxymethyl)butyl)guanine monosodium salt BRL 39123A BRL 39123D brl 39123-d c10h14n5o3.na D02124 LS-127211 Penciclovir sodium penciclovir sodium (usan) penciclovir sodium [usan] penciclovir, monosodium salt SCHEMBL133681

Inchi
InChI=1S/C9H11O3P/c1-7-5-3-4-6-9(7)8(2)13(10,11)12/h3-6H,2H2,1H3,(H2,10,11,12)
InChkey
HWYPDXFWZOOHKL-UHFFFAOYSA-N
Canonical Smiles
CC1=CC=CC=C1C(=C)P(=O)(O)O
Properties
Density
1.68
Boiling Point
280.4°C at 760 mmHg
Refractive Index
1.57
Flash Point
179.4°C
Safety and Handling
Safety

Mutation data reported. When heated to decomposition it emits toxic vapors of NOx.

Toxicity
1.    

mnt-ivn-mus 640 µmol/kg/24H-I

    MUREAV    Mutation Research. 369 (1996),65.
Specification

  1,9-Dihydro-2-amino-9-(4-hydroxy-3-(hydroxymethyl)butyl)-6H-purin-6-one monosodium salt , its cas register number is 97845-62-0. It also can be called 2-Amino-1,9-dihydro-9-(4-hydroxy-3-(hydroxymethyl)butyl)-6H-purin-6-one monosodium salt ; 9-(4-Hydroxy-3-(hydroxymethyl)butyl)guanine monosodium salt ; BRL 39123-D ; Denavir ; Penciclovir sodium ; UNII-P06226385L .

Computational chemical data
  • Molecular Weight:198.158g/mol
  • Molecular Formula:C13H12N2O5S
  • Compound Is Canonicalized:True
  • Exact Mass:198.045
  • Monoisotopic Mass:198.045
  • Complexity:243
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:3
  • Heavy Atom Count:13
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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