2-Iodoadenosine

C₁₀H₁₂IN₅O₄CAS 35109-88-7393.14 g/mol

Open in Covalent MOL file

Alcohol Aryl halide Ether Primary amine

Properties

Molecular formula: C₁₀H₁₂IN₅O₄
Molar mass: 393.14 g/mol
Exact mass: 392.9934 Da
logP: -1.38Crippen estimate
Polar surface area: 139.5 Å²
H-bond donors / acceptors: 4 / 8
Rotatable bonds: 2
Stereocentres: R, R, S, Rin SMILES atom order

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

35109-88-7

SMILES

C1=NC2=C(N=C(N=C2N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)I)N

InChIKey

MGEBVSZZNFOIRB-UUOKFMHZSA-N

InChI

InChI=1S/C10H12IN5O4/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,14,15)/t3-,5-,6-,9-/m1/s1

Weigh it out

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

Work with 2-Iodoadenosine

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-Chloroadenosine146-77-075 % similar Isoguanosine1818-71-975 % similar 2-Fluoroadenosine146-78-173 % similar Fludarabine21679-14-173 % similar Adenosine, 2-chloro-, hydrate (2:1)81012-94-470 % similar Vidarabine5536-17-469 % similar Adenosine58-61-769 % similar 2-Amino-2'-O-methyladenosine80791-87-361 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook