6-Chloropurine riboside

C₁₀H₁₁ClN₄O₄CAS 5399-87-1286.67 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
Melting point: 180–182 °C
logP: -0.91Crippen estimate
Polar surface area: 113.5 Å²
H-bond donors / acceptors: 3 / 7
Rotatable bonds: 2
Stereocentres: R, R, R, Sin SMILES atom order

Hazards

Warning

H302 Harmful if swallowed50% of notifiers
H312 Harmful in contact with skin50% of notifiers
H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H332 Harmful if inhaled50% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

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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

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

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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