2'-C-Methyladenosine

C11H15N5O4CAS 15397-12-3281.27 g/mol

Open in Covalent MOL file
ONNNNNH2OHHOOH
AlcoholEtherPrimary amine

Properties

Molecular formula
C11H15N5O4
Molar mass
281.27 g/mol
Exact mass
281.1124 Da
logP
-1.59Crippen estimate
Polar surface area
139.5 Ų
H-bond donors / acceptors
4 / 8
Rotatable bonds
2
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
15397-12-3
SMILES
C[C@]1([C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)N)CO)O)O
InChIKey
PASOFFRBGIVJET-YRKGHMEHSA-N
InChI
InChI=1S/C11H15N5O4/c1-11(19)7(18)5(2-17)20-10(11)16-4-15-6-8(12)13-3-14-9(6)16/h3-5,7,10,17-19H,2H2,1H3,(H2,12,13,14)/t5-,7-,10-,11-/m1/s1

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Work with 2'-C-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

2′,3′-O-Isopropylideneadenosine362-75-458 % similar Vidarabine5536-17-456 % similar Adenosine58-61-756 % similar Deoxyadenosine958-09-855 % similar 2′-C-Methylguanosine374750-30-855 % similar 2'-Deoxyadenosine monohydrate16373-93-652 % similar (2R,3R,4S,5R)-5-(6-Amino-9H-purin-9-yl)-4-fluoro-2-(hydroxymethyl)tetrahydrofuran-3-ol20227-41-252 % similar 2'-Fluoro-2'-deoxyadenosine64183-27-352 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3′-O-Methyladenosine10300-22-8 1-Methyladenosine15763-06-1 N6-Methyladenosine1867-73-8 2′-O-Methyladenosine2140-79-6

Elsewhere

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