N2-(2-Methylpropanoyl)-guanosine

C14H19N5O6CAS 64350-24-9353.34 g/mol

Open in Covalent MOL file
OHNNOHNNNOOHOHHO
AlcoholAmideEther

Properties

Molecular formula
C14H19N5O6
Molar mass
353.34 g/mol
Exact mass
353.1335 Da
logP
-1.67Crippen estimate
Polar surface area
162.6 Ų
H-bond donors / acceptors
5 / 8
Rotatable bonds
4
Stereocentres
R, 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
64350-24-9
SMILES
CC(C)C(=O)NC1=NC2=C(C(=O)N1)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
InChIKey
OXTYJSXVUGJSGM-HTVVRFAVSA-N
InChI
InChI=1S/C14H19N5O6/c1-5(2)11(23)17-14-16-10-7(12(24)18-14)15-4-19(10)13-9(22)8(21)6(3-20)25-13/h4-6,8-9,13,20-22H,3H2,1-2H3,(H2,16,17,18,23,24)/t6-,8-,9-,13-/m1/s1

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Work with N2-(2-Methylpropanoyl)-guanosine

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-Isobutyryl-2'-deoxyguanosine68892-42-272 % similar 2'-Deoxy-2'-fluoroguanosine78842-13-453 % similar 2-Thioadenosine43157-50-251 % similar 3'-O-(2-Methoxyethyl)guanosine256224-03-051 % similar 2'-O-(2-Methoxyethyl)guanosine473278-54-551 % similar 2-Amino-6-chloropurine riboside2004-07-149 % similar 2-Aminoadenosine2096-10-849 % similar 1-Methylinosine2140-73-049 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

N5-[Imino(nitroamino)methyl]-N2-[(phenylmethoxy)carbonyl]-L-ornithine2304-98-5

Elsewhere

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