2',3',5'-Tri-O-acetyladenosine

C₁₆H₁₉N₅O₇CAS 7387-57-7393.36 g/mol

Open in Covalent MOL file

Ester Ether Primary amine

Properties

Molecular formula: C₁₆H₁₉N₅O₇
Molar mass: 393.36 g/mol
Exact mass: 393.1284 Da
logP: -0.27Crippen estimate
Polar surface area: 157.8 Å²
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. Search the SDS library

Identifiers

CAS number

7387-57-7

SMILES

CC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)OC(=O)C)OC(=O)C

InChIKey

GCVZNVTXNUTBFB-XNIJJKJLSA-N

InChI

InChI=1S/C16H19N5O7/c1-7(22)25-4-10-12(26-8(2)23)13(27-9(3)24)16(28-10)21-6-20-11-14(17)18-5-19-15(11)21/h5-6,10,12-13,16H,4H2,1-3H3,(H2,17,18,19)/t10-,12-,13-,16-/m1/s1

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Names and synonyms

1 names

2',3',5'-Tri-O-acetyl-D-adenosine

Work with 2',3',5'-Tri-O-acetyladenosine

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-acetylinosine3181-38-277 % similar 2′,3′,5′-Tri-O-acetyl-2-fluoroadenosine15811-32-273 % similar (2R,3R,4R,5R)-2-(Acetoxymethyl)-5-(2-amino-6-chloro-9H-purin-9-yl)tetrahydrofuran-3,4-diyl diacetate16321-99-668 % similar (2R,3R,4R,5R)-2-(Acetoxymethyl)-5-(4-amino-2-oxo-1,3,5-triazin-1(2H)-yl)tetrahydrofuran-3,4-diyl diacetate10302-78-063 % similar Tri-O-acetylguanosine6979-94-855 % similar 2′,3′,5′-Tri-O-acetyluridine4105-38-851 % similar 2′-O-Methyladenosine2140-79-650 % similar 2′,3′-O-Isopropylideneadenosine362-75-449 % similar

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

Elsewhere

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