N2-Isobutyryl-2'-deoxyguanosine

C14H19N5O5CAS 68892-42-2337.34 g/mol

Open in Covalent MOL file
OHNNOHNNNOOHOH
AlcoholAmideEther

Properties

Molecular formula
C14H19N5O5
Molar mass
337.34 g/mol
Exact mass
337.1386 Da
logP
-0.65Crippen estimate
Polar surface area
142.4 Ų
H-bond donors / acceptors
4 / 7
Rotatable bonds
4
Stereocentres
R, 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
68892-42-2
SMILES
CC(C)C(=O)NC1=NC2=C(C(=O)N1)N=CN2[C@H]3C[C@@H]([C@H](O3)CO)O
InChIKey
SIDXEQFMTMICKG-DJLDLDEBSA-N
InChI
InChI=1S/C14H19N5O5/c1-6(2)12(22)17-14-16-11-10(13(23)18-14)15-5-19(11)9-3-7(21)8(4-20)24-9/h5-9,20-21H,3-4H2,1-2H3,(H2,16,17,18,22,23)/t7-,8+,9+/m0/s1

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Names and synonyms

1 names
  • Guanosine, 2'-deoxy-N-(2-methyl-1-oxopropyl)-

Work with N2-Isobutyryl-2'-deoxyguanosine

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

N2-(2-Methylpropanoyl)-guanosine64350-24-972 % similar 2-Amino-2′-deoxyadenosine4546-70-750 % similar Cladribine4291-63-849 % similar 2′-Deoxy-N6-methyladenosine2002-35-948 % similar N-Benzoyl-2'-deoxyadenosine305808-19-947 % similar Deoxyinosine890-38-046 % similar Deoxyadenosine958-09-846 % similar 3'-Deoxyguanosine3608-58-045 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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