chempirical

Xanthosine

C10H12N4O6CAS 146-80-5284.23 g/mol

Open in Covalent MOL file
OHONNOHNOHNOHHO
AlcoholEtherPhenol

Properties

Molecular formula
C10H12N4O6
Molar mass
284.23 g/mol
Exact mass
284.0757 Da
Melting point
144–147 °C
logP
-2.15Crippen estimate
Polar surface area
154.0 Ų
H-bond donors / acceptors
5 / 9
Rotatable bonds
2
Stereocentres
R, R, R, Sin SMILES atom order

Identifiers

CAS number
146-80-5
SMILES
OC[C@H]1O[C@@H](n2cnc3c(O)nc(O)nc32)[C@H](O)[C@@H]1O
InChIKey
UBORTCNDUKBEOP-UUOKFMHZSA-N
InChI
InChI=1S/C10H12N4O6/c15-1-3-5(16)6(17)9(20-3)14-2-11-4-7(14)12-10(19)13-8(4)18/h2-3,5-6,9,15-17H,1H2,(H2,12,13,18,19)/t3-,5-,6-,9-/m1/s1

Weigh it out

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

Names and synonyms

7 names
  • 9-β-D-Ribofuranosylxanthine
  • β-D-Ribofuranoside, xanthine-9
  • 1H-Purine-2,6-dione, 3,9-dihydro-9-β-D-ribofuranosyl-
  • 3,9-Dihydro-9-β-D-ribofuranosyl-1H-purine-2,6-dione
  • NSC 18930
  • 2,3-Dihydro-2-oxoinosine
  • Inosine, 2,3-dihydro-2-oxo-

Work with Xanthosine

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

Isoguanosine1818-71-978 % similar N2,N2-Dimethylguanosine2140-67-272 % similar Inosine58-63-971 % similar 5′-Xanthylic acid, sodium salt (1:2)25899-70-163 % similar (2R,3R,4S,5R)-2-(2,6-Dichloro-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol13276-52-362 % similar 2-Chloroadenosine146-77-061 % similar Guanosine118-00-361 % similar 9-β-D-Arabinofuranosylguanine38819-10-261 % similar

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

Elsewhere

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