Tri-O-acetylguanosine

C₁₆H₁₉N₅O₈CAS 6979-94-8409.36 g/mol

Open in Covalent MOL file

Ester Ether Phenol

Properties

Molecular formula: C₁₆H₁₉N₅O₈
Molar mass: 409.36 g/mol
Exact mass: 409.1234 Da
Melting point: 226 °C
logP: -0.73Crippen estimate
Polar surface area: 178.7 Å²
H-bond donors / acceptors: 3 / 11
Rotatable bonds: 5
Stereocentres: R, R, R, Rin SMILES atom order

Identifiers

CAS number

6979-94-8

SMILES

CC(=O)OC[C@H]1O[C@@H](n2cnc3c(O)nc(=N)[nH]c32)[C@H](OC(C)=O)[C@@H]1OC(C)=O

InChIKey

ULXDFYDZZFYGIY-SDBHATRESA-N

InChI

InChI=1S/C16H19N5O8/c1-6(22)26-4-9-11(27-7(2)23)12(28-8(3)24)15(29-9)21-5-18-10-13(21)19-16(17)20-14(10)25/h5,9,11-12,15H,4H2,1-3H3,(H3,17,19,20,25)/t9-,11-,12-,15-/m1/s1

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Names and synonyms

5 names

Guanosine, 2′,3′,5′-triacetate
Triacetylguanosine
Guanosine triacetate
2′,3′,5′-Tri-O-acetylguanosine
NSC 66387

Work with Tri-O-acetylguanosine

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-acetylinosine3181-38-264 % similar 9-[[2-(Acetyloxy)-1-(hydroxymethyl)ethoxy]methyl]-2-amino-1,9-dihydro-6H-purin-6-one88110-89-856 % similar 2′-O-Methylguanosine2140-71-855 % similar 2′,3′-Isopropylideneguanosine362-76-555 % similar (2R,3R,4R,5R)-2-(Acetoxymethyl)-5-(4-amino-2-oxo-1,3,5-triazin-1(2H)-yl)tetrahydrofuran-3,4-diyl diacetate10302-78-054 % similar 2′,3′,5′-Tri-O-acetyluridine4105-38-854 % similar 2′,3′,5′-Tri-O-acetyl-2-fluoroadenosine15811-32-254 % similar Guanosine118-00-353 % similar

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

Elsewhere

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