2'-O-Moe-adenosine

C13H19N5O5CAS 168427-74-5325.33 g/mol

Open in Covalent MOL file
OOONNNNNH2OHHO
AlcoholEtherPrimary 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 Ų
H-bond donors / acceptors
3 / 9
Rotatable bonds
6
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
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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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'-O-(2-Methoxyethyl)guanosine473278-54-567 % similar (2R,3R,4S,5R)-5-(6-Amino-9H-purin-9-yl)-4-fluoro-2-(hydroxymethyl)tetrahydrofuran-3-ol20227-41-264 % similar 2'-Fluoro-2'-deoxyadenosine64183-27-364 % similar 3'-Fluoro-3'-deoxyadenosine75059-22-262 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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