2-Amino-2'-O-methyladenosine

C₁₁H₁₆N₆O₄CAS 80791-87-3296.29 g/mol

Open in Covalent MOL file

Alcohol Ether Primary amine

Properties

Molecular formula: C₁₁H₁₆N₆O₄
Molar mass: 296.29 g/mol
Exact mass: 296.1233 Da
logP: -1.74Crippen estimate
Polar surface area: 154.6 Å²
H-bond donors / acceptors: 4 / 9
Rotatable bonds: 3
Stereocentres: R, R, R, Rin SMILES atom order

Hazards

Not classified as hazardous under GHS. Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number

80791-87-3

SMILES

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

InChIKey

JLWUWXCKSOIFPS-KQYNXXCUSA-N

InChI

InChI=1S/C11H16N6O4/c1-20-7-6(19)4(2-18)21-10(7)17-3-14-5-8(12)15-11(13)16-9(5)17/h3-4,6-7,10,18-19H,2H2,1H3,(H4,12,13,15,16)/t4-,6-,7-,10-/m1/s1

Weigh it out

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

Work with 2-Amino-2'-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

2′-O-Methyladenosine2140-79-675 % similar 3′-O-Methyladenosine10300-22-863 % similar 2-Chloroadenosine146-77-063 % similar Isoguanosine1818-71-963 % similar 2-Fluoroadenosine146-78-161 % similar Fludarabine21679-14-161 % similar 2-Iodoadenosine35109-88-761 % similar 2'-O-Moe-adenosine168427-74-560 % similar

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

Same formula

2-Amino-3′-O-methyladenosine80791-88-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook