2'-O-Moe-adenosine

C₁₃H₁₉N₅O₅CAS 168427-74-5325.33 g/mol

Open in Covalent MOL file

Alcohol Ether Primary amine

Properties

Molecular formula: C₁₃H₁₉N₅O₅
Molar mass: 325.33 g/mol
Exact mass: 325.1386 Da
logP: -1.31Crippen estimate
Polar surface area: 137.8 Å²
H-bond donors / acceptors: 3 / 9
Rotatable bonds: 6
Stereocentres: R, R, R, Rin SMILES atom order

Identifiers

CAS number

168427-74-5

SMILES

COCCO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)N)CO)O

InChIKey

PUDXUJRJLRLJIU-QYVSTXNMSA-N

InChI

InChI=1S/C13H19N5O5/c1-21-2-3-22-10-9(20)7(4-19)23-13(10)18-6-17-8-11(14)15-5-16-12(8)18/h5-7,9-10,13,19-20H,2-4H2,1H3,(H2,14,15,16)/t7-,9-,10-,13-/m1/s1

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

Names and synonyms

1 names

2'-O-(2-Methoxyethyl)adenosine

Work with 2'-O-Moe-adenosine

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′-O-Methyladenosine2140-79-678 % similar Vidarabine5536-17-469 % similar Adenosine58-61-769 % similar 3′-O-Methyladenosine10300-22-869 % similar 2′,3′-O-Isopropylideneadenosine362-75-460 % similar 3′-Azido-3′-deoxyadenosine58699-62-056 % similar Inosine58-63-955 % similar 6-Methylpurine riboside14675-48-054 % similar

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

Elsewhere

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