chempirical

6-Chloropurine riboside

C10H11ClN4O4CAS 5399-87-1286.67 g/mol

Open in Covalent MOL file
OHONNClNNOHHO
AlcoholAryl halideEther

Properties

Molecular formula
C10H11ClN4O4
Molar mass
286.67 g/mol
Exact mass
286.0469 Da
Melting point
180–182 °C
logP
-0.91Crippen estimate
Polar surface area
113.5 Ų
H-bond donors / acceptors
3 / 7
Rotatable bonds
2
Stereocentres
R, R, R, Sin SMILES atom order

Identifiers

CAS number
5399-87-1
SMILES
OC[C@H]1O[C@@H](n2cnc3c(Cl)ncnc32)[C@H](O)[C@@H]1O
InChIKey
XHRJGHCQQPETRH-KQYNXXCUSA-N
InChI
InChI=1S/C10H11ClN4O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2/t4-,6-,7-,10-/m1/s1

Weigh it out

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

Names and synonyms

10 names
  • 9H-Purine, 6-chloro-9-β-D-ribofuranosyl-
  • 6-Chloro-9-β-D-ribofuranosyl-9H-purine
  • NSC 4910
  • 6-Chloro-9-β-D-ribofuranosylpurine
  • 6-Chloronebularine
  • 6-Chloropurinosine
  • 6-Chloropurine 9-β-D-ribofuranoside
  • 6-Chloro-6-deaminoadenosine
  • 9-(β-D-Ribofuranosyl)-6-chloropurine
  • 6-Chloropurine-D-riboside

Work with 6-Chloropurine riboside

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

(2R,3R,4S,5R)-2-(2,6-Dichloro-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol13276-52-373 % similar Vidarabine5536-17-473 % similar Adenosine58-61-773 % similar Inosine58-63-973 % similar N6-Methyladenosine1867-73-867 % similar N6-Dimethyladenosine2620-62-467 % similar Benzyladenosine4294-16-063 % similar 2-Chloroadenosine146-77-062 % similar

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

Same formula

6-Chloro-9-ribofuranosyl-9H-purine2004-06-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook