6-Methylpurine riboside

C₁₁H₁₄N₄O₄CAS 14675-48-0266.26 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₁H₁₄N₄O₄
Molar mass: 266.26 g/mol
Exact mass: 266.1015 Da
logP: -1.25Crippen estimate
Polar surface area: 113.5 Å²
H-bond donors / acceptors: 3 / 7
Rotatable bonds: 2
Stereocentres: R, R, S, Rin SMILES atom order

Hazards

Danger

H301 Toxic if swallowed100% of notifiers
H311 Toxic in contact with skin100% of notifiers
H331 Toxic if inhaled100% of notifiers

Aggregated from 38 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P262, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P316, P321, P330, P361+P364, P403+P233, P405, P501

Identifiers

CAS number

14675-48-0

SMILES

CC1=C2C(=NC=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O

InChIKey

FIGBCBGMUIGJBD-PNHWDRBUSA-N

InChI

InChI=1S/C11H14N4O4/c1-5-7-10(13-3-12-5)15(4-14-7)11-9(18)8(17)6(2-16)19-11/h3-4,6,8-9,11,16-18H,2H2,1H3/t6-,8-,9-,11-/m1/s1

Weigh it out

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

Work with 6-Methylpurine riboside

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

Vidarabine5536-17-473 % similar Adenosine58-61-773 % similar Inosine58-63-973 % similar 6-Chloro-9-ribofuranosyl-9H-purine2004-06-071 % similar 6-Chloropurine riboside5399-87-171 % similar N6-Methyladenosine1867-73-871 % similar N6-Dimethyladenosine2620-62-471 % similar 1-Methyladenosine15763-06-162 % similar

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

Same formula

Tubercidin69-33-0 Doxofylline69975-86-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook