chempirical

2′,3′-O-Isopropylideneadenosine

C13H17N5O4CAS 362-75-4307.31 g/mol

Open in Covalent MOL file
OOHOONNNH2NN
AcetalAlcoholEtherPrimary amine

Properties

Molecular formula
C13H17N5O4
Molar mass
307.31 g/mol
Exact mass
307.1281 Da
Melting point
220 °C
logP
-0.18Crippen estimate
Polar surface area
117.5 Ų
H-bond donors / acceptors
2 / 8
Rotatable bonds
2
Stereocentres
R, R, R, Rin SMILES atom order

Identifiers

CAS number
362-75-4
SMILES
CC1(C)O[C@@H]2[C@H](O1)[C@@H](CO)O[C@H]2n1cnc2c(N)ncnc21
InChIKey
LCCLUOXEZAHUNS-WOUKDFQISA-N
InChI
InChI=1S/C13H17N5O4/c1-13(2)21-8-6(3-19)20-12(9(8)22-13)18-5-17-7-10(14)15-4-16-11(7)18/h4-6,8-9,12,19H,3H2,1-2H3,(H2,14,15,16)/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
  • Adenosine, 2′,3′-O-(1-methylethylidene)-
  • Adenosine, 2′,3′-O-isopropylidene-
  • Furo[3,4-d]-1,3-dioxole, adenosine deriv.
  • 2′,3′-O-(1-Methylethylidene)adenosine
  • 2′,3′-Isopropylideneadenosine
  • NSC 29413
  • 26: PN: US20070161007 PAGE: 25 claimed sequence

Work with 2′,3′-O-Isopropylideneadenosine

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-(1-Methylethylidene)inosine2140-11-677 % similar 3′-O-Methyladenosine10300-22-866 % similar 2′-O-Methyladenosine2140-79-666 % similar Vidarabine5536-17-463 % similar Adenosine58-61-763 % similar Cordycepin73-03-054 % similar 2′,3′-Isopropylideneguanosine362-76-554 % similar Deoxyadenosine958-09-853 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook