3′-O-Methyladenosine

C11H15N5O4CAS 10300-22-8281.27 g/mol

Open in Covalent MOL file
OOHNNNH2NNOHO
AlcoholEtherPrimary amine

Properties

Molecular formula
C11H15N5O4
Molar mass
281.27 g/mol
Exact mass
281.1124 Da
Melting point
177–178 °C
logP
-1.33Crippen estimate
Polar surface area
128.5 Ų
H-bond donors / acceptors
3 / 8
Rotatable bonds
3
Stereocentres
S, 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
10300-22-8
SMILES
CO[C@H]1[C@@H](O)[C@H](n2cnc3c(N)ncnc32)O[C@@H]1CO
InChIKey
RYAFZRROCNNRFK-IOSLPCCCSA-N
InChI
InChI=1S/C11H15N5O4/c1-19-8-5(2-17)20-11(7(8)18)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7-,8-,11-/m1/s1

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Names and synonyms

3 names
  • 3'-O-Methyladenosine
  • Adenosine, 3′-O-methyl-
  • NSC 103062

Work with 3′-O-Methyladenosine

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

Vidarabine5536-17-478 % similar Adenosine58-61-778 % similar 3'-Fluoro-3'-deoxyadenosine75059-22-272 % similar 2'-O-Moe-adenosine168427-74-569 % similar (2R,3R,4S,5R)-5-(6-Amino-9H-purin-9-yl)-4-fluoro-2-(hydroxymethyl)tetrahydrofuran-3-ol20227-41-269 % similar 2'-Fluoro-2'-deoxyadenosine64183-27-369 % similar 2′,3′-O-Isopropylideneadenosine362-75-466 % similar 3′-Azido-3′-deoxyadenosine58699-62-064 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2'-C-Methyladenosine15397-12-3 1-Methyladenosine15763-06-1 N6-Methyladenosine1867-73-8 2′-O-Methyladenosine2140-79-6

Elsewhere

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