chempirical

2′,3′-Isopropylideneguanosine

C13H17N5O5CAS 362-76-5323.31 g/mol

Open in Covalent MOL file
OOHOONNOHNNHHN
AcetalAlcoholEtherPhenol

Properties

Molecular formula
C13H17N5O5
Molar mass
323.31 g/mol
Exact mass
323.1230 Da
Melting point
299 °C (decomposes)
logP
-0.65Crippen estimate
Polar surface area
138.5 Ų
H-bond donors / acceptors
4 / 8
Rotatable bonds
2
Stereocentres
R, R, R, Rin SMILES atom order

Identifiers

CAS number
362-76-5
SMILES
CC1(C)O[C@@H]2[C@H](O1)[C@@H](CO)O[C@H]2n1cnc2c(O)nc(=N)[nH]c21
InChIKey
XKPDAYWPKILAMO-IOSLPCCCSA-N
InChI
InChI=1S/C13H17N5O5/c1-13(2)22-7-5(3-19)21-11(8(7)23-13)18-4-15-6-9(18)16-12(14)17-10(6)20/h4-5,7-8,11,19H,3H2,1-2H3,(H3,14,16,17,20)/t5-,7-,8-,11-/m1/s1

Weigh it out

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

Names and synonyms

6 names
  • Guanosine, 2′,3′-O-(1-methylethylidene)-
  • Guanosine, 2′,3′-O-isopropylidene-
  • Furo[3,4-d]-1,3-dioxole, guanosine deriv.
  • 2′,3′-O-(1-Methylethylidene)guanosine
  • Isopropylideneguanosine
  • 2′,3′-O-Isopropylideneguanosine

Work with 2′,3′-Isopropylideneguanosine

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

3′-O-Methylguanosine10300-27-368 % similar 2′-O-Methylguanosine2140-71-868 % similar Guanosine118-00-367 % similar 9-β-D-Arabinofuranosylguanine38819-10-267 % similar Guanosine85-30-367 % similar 2-Amino-9-(2-deoxy-2-fluoro-β-D-arabinofuranosyl)-1,9-dihydro-6H-purin-6-one103884-98-663 % similar 3′-Deoxy-3′-fluoroguanosine123402-21-163 % similar 2′-C-Methylguanosine374750-30-862 % similar

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

Elsewhere

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