chempirical

2′,3′-O-(1-Methylethylidene)inosine

C13H16N4O5CAS 2140-11-6308.29 g/mol

Open in Covalent MOL file
OOHOONNOHNN
AcetalAlcoholEtherPhenol

Properties

Molecular formula
C13H16N4O5
Molar mass
308.29 g/mol
Exact mass
308.1121 Da
Melting point
271–276 °C
logP
-0.06Crippen estimate
Polar surface area
111.8 Ų
H-bond donors / acceptors
2 / 8
Rotatable bonds
2
Stereocentres
R, R, R, Rin SMILES atom order

Identifiers

CAS number
2140-11-6
SMILES
CC1(C)O[C@@H]2[C@H](O1)[C@@H](CO)O[C@H]2n1cnc2c(O)ncnc21
InChIKey
LIEKLUBCIPVWQD-WOUKDFQISA-N
InChI
InChI=1S/C13H16N4O5/c1-13(2)21-8-6(3-18)20-12(9(8)22-13)17-5-16-7-10(17)14-4-15-11(7)19/h4-6,8-9,12,18H,3H2,1-2H3,(H,14,15,19)/t6-,8-,9-,12-/m1/s1

Weigh it out

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

Names and synonyms

7 names
  • Inosine, 2′,3′-O-(1-methylethylidene)-
  • Inosine, 2′,3′-O-isopropylidene-
  • Furo[3,4-d]-1,3-dioxole, inosine deriv.
  • 2′,3′-O-Isopropylideneinosine
  • 2′,3′-Isopropylideneinosine
  • NSC 29925
  • Chembridge 5141597

Work with 2′,3′-O-(1-Methylethylidene)inosine

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

2′,3′-O-Isopropylideneadenosine362-75-477 % similar Inosine58-63-963 % similar 2′,3′-Isopropylideneguanosine362-76-561 % similar Deoxyinosine890-38-053 % similar 2′,3′-O-Isopropylideneuridine362-43-652 % similar Didanosine69655-05-651 % similar 2′,3′,5′-Tri-O-acetylinosine3181-38-251 % similar 3′-O-Methyladenosine10300-22-850 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook