2′,3′,5′-Tri-O-acetylinosine

C16H18N4O8CAS 3181-38-2394.34 g/mol

Open in Covalent MOL file
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EsterEtherPhenol

Properties

Molecular formula
C16H18N4O8
Molar mass
394.34 g/mol
Exact mass
394.1125 Da
Melting point
241 °C
logP
-0.14Crippen estimate
Polar surface area
152.0 Ų
H-bond donors / acceptors
1 / 11
Rotatable bonds
5
Stereocentres
R, R, R, Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
3181-38-2
SMILES
CC(=O)OC[C@H]1O[C@@H](n2cnc3c(O)ncnc32)[C@H](OC(C)=O)[C@@H]1OC(C)=O
InChIKey
SFEQTFDQPJQUJM-XNIJJKJLSA-N
InChI
InChI=1S/C16H18N4O8/c1-7(21)25-4-10-12(26-8(2)22)13(27-9(3)23)16(28-10)20-6-19-11-14(20)17-5-18-15(11)24/h5-6,10,12-13,16H,4H2,1-3H3,(H,17,18,24)/t10-,12-,13-,16-/m1/s1

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Names and synonyms

5 names
  • Inosine, 2′,3′,5′-triacetate
  • 2′,3′,5′-Triacetylinosine
  • NSC 66386
  • Chembridge 5141605
  • 2',3',5'-Tri-O-acetylinosine

Work with 2′,3′,5′-Tri-O-acetylinosine

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',5'-Tri-O-acetyladenosine7387-57-777 % similar Tri-O-acetylguanosine6979-94-864 % similar 2′,3′,5′-Tri-O-acetyl-2-fluoroadenosine15811-32-262 % similar (2R,3R,4R,5R)-2-(Acetoxymethyl)-5-(2-amino-6-chloro-9H-purin-9-yl)tetrahydrofuran-3,4-diyl diacetate16321-99-662 % similar (2R,3R,4R,5R)-2-(Acetoxymethyl)-5-(4-amino-2-oxo-1,3,5-triazin-1(2H)-yl)tetrahydrofuran-3,4-diyl diacetate10302-78-057 % similar 2′,3′,5′-Tri-O-acetyluridine4105-38-857 % similar 2',3'-O-(1-Methylethylidene)inosine2140-11-651 % similar Inosine58-63-948 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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