chempirical

Kinetin riboside

C15H17N5O5CAS 4338-47-0347.33 g/mol

Open in Covalent MOL file
OHONNNHONNOHHO
AlcoholEtherSecondary amine

Properties

Molecular formula
C15H17N5O5
Molar mass
347.33 g/mol
Exact mass
347.1230 Da
Melting point
151–152 °C
logP
-0.36Crippen estimate
Polar surface area
138.7 Ų
H-bond donors / acceptors
4 / 9
Rotatable bonds
5
Stereocentres
R, R, R, Sin SMILES atom order

Identifiers

CAS number
4338-47-0
SMILES
OC[C@H]1O[C@@H](n2cnc3c(NCc4ccco4)ncnc32)[C@H](O)[C@@H]1O
InChIKey
CAGLGYNQQSIUGX-SDBHATRESA-N
InChI
InChI=1S/C15H17N5O5/c21-5-9-11(22)12(23)15(25-9)20-7-19-10-13(17-6-18-14(10)20)16-4-8-2-1-3-24-8/h1-3,6-7,9,11-12,15,21-23H,4-5H2,(H,16,17,18)/t9-,11-,12-,15-/m1/s1

Weigh it out

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

Names and synonyms

11 names
  • Adenosine, N-(2-furanylmethyl)-
  • Adenosine, N-furfuryl-
  • N-(2-Furanylmethyl)adenosine
  • Riboside, kinetin
  • Furfuryladenosine
  • N6-Furfuryladenosine
  • Ribosylkinetin
  • 6-Furfuryladenosine
  • NSC 120958
  • N6-(2-Furanylmethyl)adenosine
  • Kinetinα riboside

Work with Kinetin riboside

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

Benzyladenosine4294-16-074 % similar Adenosine, N-[(5-bromo-2-thienyl)methyl]-1706525-09-865 % similar N6-Methyladenosine1867-73-864 % similar Zeatin riboside6025-53-260 % similar Vidarabine5536-17-457 % similar Adenosine58-61-757 % similar Inosine58-63-957 % similar 6-Chloro-9-ribofuranosyl-9H-purine2004-06-056 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook