chempirical

1-Methylinosine

C11H14N4O5CAS 2140-73-0282.26 g/mol

Open in Covalent MOL file
NNNNOOHOHOHO
AlcoholEther

Properties

Molecular formula
C11H14N4O5
Molar mass
282.26 g/mol
Exact mass
282.0964 Da
Melting point
211–212 °C
logP
-2.26Crippen estimate
Polar surface area
122.6 Ų
H-bond donors / acceptors
3 / 7
Rotatable bonds
2
Stereocentres
R, R, S, Rin SMILES atom order

Identifiers

CAS number
2140-73-0
SMILES
Cn1cnc2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1=O
InChIKey
WJNGQIYEQLPJMN-IOSLPCCCSA-N
InChI
InChI=1S/C11H14N4O5/c1-14-3-13-9-6(10(14)19)12-4-15(9)11-8(18)7(17)5(2-16)20-11/h3-5,7-8,11,16-18H,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

2 names
  • N1-Methylinosine
  • Inosine, 1-methyl-

Work with 1-Methylinosine

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-Methyladenosine15763-06-175 % similar Vidarabine5536-17-459 % similar Adenosine58-61-759 % similar Inosine58-63-959 % similar 6-Chloro-9-ribofuranosyl-9H-purine2004-06-058 % similar 6-Chloropurine riboside5399-87-158 % similar N6-Methyladenosine1867-73-858 % similar N6-Dimethyladenosine2620-62-458 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook