chempirical

6-Chloro-9-[2,3-O-(1-methylethylidene)-beta-D-ribofuranosyl]-9H-Purine

C13H15ClN4O4CAS 39824-26-5326.74 g/mol

Open in Covalent MOL file
OOONNNNClHO
AcetalAlcoholAryl halideEther

Properties

Molecular formula
C13H15ClN4O4
Molar mass
326.74 g/mol
Exact mass
326.0782 Da
logP
0.89Crippen estimate
Polar surface area
91.5 Ų
H-bond donors / acceptors
1 / 7
Rotatable bonds
2
Stereocentres
R, R, R, Rin SMILES atom order

Hazards

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

Identifiers

CAS number
39824-26-5
SMILES
CC1(O[C@@H]2[C@H](O[C@H]([C@@H]2O1)N3C=NC4=C3N=CN=C4Cl)CO)C
InChIKey
VDYNZOUPLVQLRV-WOUKDFQISA-N
InChI
InChI=1S/C13H15ClN4O4/c1-13(2)21-8-6(3-19)20-12(9(8)22-13)18-5-17-7-10(14)15-4-16-11(7)18/h4-6,8-9,12,19H,3H2,1-2H3/t6-,8-,9-,12-/m1/s1

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Names and synonyms

1 names
  • 6-Chloro-9-beta-D-(2,3-isopropylidene)ribofuranosylpurine

Work with 6-Chloro-9-[2,3-O-(1-methylethylidene)-beta-D-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

2′,3′-O-(1-Methylethylidene)inosine2140-11-676 % similar 2′,3′-O-Isopropylideneadenosine362-75-476 % similar 6-Chloro-9-ribofuranosyl-9H-purine2004-06-064 % similar 6-Chloropurine riboside5399-87-164 % similar N6-Benzoyl-2',3'-isopropylidene adenosine39947-04-160 % similar 2′,3′-Isopropylideneguanosine362-76-553 % similar 3′-O-Methyladenosine10300-22-849 % similar 2′-O-Methyladenosine2140-79-649 % similar

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

Elsewhere

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