6-Chloro-9-ribofuranosyl-9H-purine

C10H11ClN4O4CAS 2004-06-0286.67 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
logP
-0.91Crippen estimate
Polar surface area
113.5 Ų
H-bond donors / acceptors
3 / 7
Rotatable bonds
2
Stereocentres
S, S, Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
2004-06-0
SMILES
OC[C@@H]1OC(n2cnc3c(Cl)ncnc32)[C@@H](O)[C@H]1O
InChIKey
XHRJGHCQQPETRH-HRBNIKIZNA-N
InChI
InChI=1/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?/s2

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Names and synonyms

2 names
  • 9H-Purine, 6-chloro-9-ribofuranosyl-
  • 6-Chloropurine ribonucleoside

Work with 6-Chloro-9-ribofuranosyl-9H-purine

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

6-Chloropurine riboside5399-87-1Stereoisomer

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 6-Methylpurine riboside14675-48-071 % similar N6-Methyladenosine1867-73-867 % similar N6-Dimethyladenosine2620-62-467 % similar 6-Chloro-9-[2,3-O-(1-methylethylidene)-beta-D-ribofuranosyl]-9H-Purine39824-26-564 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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