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Home> Hot Product Listed P   > Pyridinium,3-amino-1-[5-O-[hydroxy(phosphonooxy)phosphinyl]-b-D-ribofuranosyl]-, P'®5'-ester wit...
160240-07-3 structure

Pyridinium,3-amino-1-[5-O-[hydroxy(phosphonooxy)phosphinyl]-b-D-ribofuranosyl]-, P'®5'-ester with 3-(2-O-phosphono-b-D-ribofuranosyl)-3H-imidazo[2,1-i]purine,inner salt (9CI)

Iupac Name:5,6,7,8-tetrahydroquinolin-7-ol
CAS No.:160240-07-3
Molecular Weight:149.193
Molecular Formula:C6H13CL2O2P (isomer)
Names and Identifiers
Synonyms

3H-Imidazo[2,1-i]purine,pyridinium deriv.

Inchi
InChI=1S/C9H11NO/c11-8-4-3-7-2-1-5-10-9(7)6-8/h1-2,5,8,11H,3-4,6H2
InChkey
JTIKLMFKOVAACS-UHFFFAOYSA-N
Canonical Smiles
C1CC2=C(CC1O)N=CC=C2
Properties
Boiling Point
140.4°Cat760mmHg
Flash Point
194.9°C
Computational chemical data
  • Molecular Weight:149.193g/mol
  • Molecular Formula:C6H13CL2O2P
  • Compound Is Canonicalized:True
  • Exact Mass:149.084
  • Monoisotopic Mass:149.084
  • Complexity:138
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:33.1A^2
  • Heavy Atom Count:11
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:1
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccByIAAAAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAACxgAAAHgAACAAADBzhngY8gJIIEgCg AzRnRACCgCAxAiAI2CA4ZJgIMOLAkZGEYAhmwAHIyAeQ0KMOAAAAAAAAAABAAAAEAAQAAAAAAAAA AA==
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