1-Methyladenosine

C11H15N5O4CAS 15763-06-1281.27 g/mol

Open in Covalent MOL file
NNNNOOHOHOHHN
AlcoholEther

Properties

Molecular formula
C11H15N5O4
Molar mass
281.27 g/mol
Exact mass
281.1124 Da
logP
-2.14Crippen estimate
Polar surface area
129.4 Ų
H-bond donors / acceptors
4 / 7
Rotatable bonds
2
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
15763-06-1
SMILES
Cn1cnc2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1=N
InChIKey
GFYLSDSUCHVORB-IOSLPCCCSA-N
InChI
InChI=1S/C11H15N5O4/c1-15-3-14-10-6(9(15)12)13-4-16(10)11-8(19)7(18)5(2-17)20-11/h3-5,7-8,11-12,17-19H,2H2,1H3/t5-,7-,8-,11-/m1/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

4 names
  • Adenosine, 1-methyl-
  • 9H-Purine, 1,6-dihydro-6-imino-1-methyl-9-β-D-ribofuranosyl-
  • N1-Methyladenosine
  • NSC 92165

Work with 1-Methyladenosine

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

1-Methylinosine2140-73-075 % similar 6-Methylpurine riboside14675-48-062 % similar Vidarabine5536-17-460 % similar Adenosine58-61-760 % similar Inosine58-63-960 % similar 6-Chloro-9-ribofuranosyl-9H-purine2004-06-059 % similar 6-Chloropurine riboside5399-87-159 % similar N6-Dimethyladenosine2620-62-459 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3′-O-Methyladenosine10300-22-8 2'-C-Methyladenosine15397-12-3 N6-Methyladenosine1867-73-8 2′-O-Methyladenosine2140-79-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook