chempirical

5′-Tosyladenosine

C17H19N5O6SCAS 5135-30-8421.43 g/mol

Open in Covalent MOL file
SOOOONNNH2NNOHHO
AlcoholEtherPrimary amineSulfonate ester

Properties

Molecular formula
C17H19N5O6S
Molar mass
421.43 g/mol
Exact mass
421.1056 Da
Melting point
152 °C
logP
-0.26Crippen estimate
Polar surface area
162.7 Ų
H-bond donors / acceptors
3 / 10
Rotatable bonds
5
Stereocentres
R, R, R, Sin SMILES atom order

Identifiers

CAS number
5135-30-8
SMILES
Cc1ccc(S(=O)(=O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)cc1
InChIKey
CAXLRAROZXYOHH-LSCFUAHRSA-N
InChI
InChI=1S/C17H19N5O6S/c1-9-2-4-10(5-3-9)29(25,26)27-6-11-13(23)14(24)17(28-11)22-8-21-12-15(18)19-7-20-16(12)22/h2-5,7-8,11,13-14,17,23-24H,6H2,1H3,(H2,18,19,20)/t11-,13-,14-,17-/m1/s1

Weigh it out

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

Names and synonyms

4 names
  • Adenosine, 5′-(4-methylbenzenesulfonate)
  • Adenosine, 5′-p-toluenesulfonate
  • 5′-O-Tosyladenosine
  • 5′-O-Toluenesulfonyladenosine

Work with 5′-Tosyladenosine

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

Vidarabine phosphate29984-33-658 % similar Adenosine monophosphate61-19-858 % similar Vidarabine5536-17-458 % similar Adenosine58-61-758 % similar 5′-Chloro-5′-deoxyadenosine892-48-857 % similar 5′-Methylthioadenosine2457-80-957 % similar Adenosine 5′-monophosphate disodium4578-31-855 % similar Amp sodium salt13474-03-853 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook