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

C₁₀H₁₁ClN₄O₄CAS 2004-06-0286.67 g/mol

Open in Covalent MOL file

Alcohol Aryl halide Ether

Properties

Molecular formula: C₁₀H₁₁ClN₄O₄
Molar mass: 286.67 g/mol
Exact mass: 286.0469 Da
logP: -0.91Crippen estimate
Polar surface area: 113.5 Å²
H-bond donors / acceptors: 3 / 7
Rotatable bonds: 2
Stereocentres: S, S, Rin SMILES atom order

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

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-Chloropurine riboside5399-87-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook