chempirical

1-Methylguanosine

C11H15N5O5CAS 2140-65-0297.27 g/mol

Open in Covalent MOL file
NHNNHNNOOHOHOHO
AlcoholEther

Properties

Molecular formula
C11H15N5O5
Molar mass
297.27 g/mol
Exact mass
297.1073 Da
Melting point
163 °C
logP
-2.85Crippen estimate
Polar surface area
149.4 Ų
H-bond donors / acceptors
5 / 7
Rotatable bonds
2
Stereocentres
R, R, S, Rin SMILES atom order

Identifiers

CAS number
2140-65-0
SMILES
Cn1c(=N)[nH]c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1=O
InChIKey
UTAIYTHAJQNQDW-KQYNXXCUSA-N
InChI
InChI=1S/C11H15N5O5/c1-15-9(20)5-8(14-11(15)12)16(3-13-5)10-7(19)6(18)4(2-17)21-10/h3-4,6-7,10,17-19H,2H2,1H3,(H2,12,14)/t4-,6-,7-,10-/m1/s1

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Names and synonyms

3 names
  • Guanosine, 1-methyl-
  • N1-Methylguanosine
  • NSC 70897

Work with 1-Methylguanosine

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

Guanosine118-00-358 % similar 9-β-D-Arabinofuranosylguanine38819-10-258 % similar Guanosine85-30-358 % similar Thioguanosine85-31-458 % similar 1-Methylinosine2140-73-057 % similar 1-Methyladenosine15763-06-153 % similar 2-Amino-6-chloropurine riboside2004-07-150 % similar 2-Aminoadenosine2096-10-850 % similar

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

Same formula

3′-O-Methylguanosine10300-27-3 Nelarabine121032-29-9 2′-O-Methylguanosine2140-71-8 N2-Methylguanosine2140-77-4 2′-C-Methylguanosine374750-30-8 9-[[2-(Acetyloxy)-1-(hydroxymethyl)ethoxy]methyl]-2-amino-1,9-dihydro-6H-purin-6-one88110-89-8

Elsewhere

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