chempirical

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. Search the SDS library

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

Weigh it out

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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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