7-Deaza-7-iodo-2'-deoxyguanosine

C₁₁H₁₃IN₄O₄CAS 172163-62-1392.15 g/mol

Open in Covalent MOL file

Alcohol Aryl halide Ether Primary amine

Properties

Molecular formula: C₁₁H₁₃IN₄O₄
Molar mass: 392.15 g/mol
Exact mass: 391.9982 Da
logP: -0.45Crippen estimate
Polar surface area: 126.4 Å²
H-bond donors / acceptors: 4 / 6
Rotatable bonds: 2
Stereocentres: S, R, Rin SMILES atom order

Identifiers

CAS number

172163-62-1

SMILES

C1[C@@H]([C@H](O[C@H]1N2C=C(C3=C2N=C(NC3=O)N)I)CO)O

InChIKey

TVQBNMOSBBMRCZ-RRKCRQDMSA-N

InChI

InChI=1S/C11H13IN4O4/c12-4-2-16(7-1-5(18)6(3-17)20-7)9-8(4)10(19)15-11(13)14-9/h2,5-7,17-18H,1,3H2,(H3,13,14,15,19)/t5-,6+,7+/m0/s1

Weigh it out

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

Work with 7-Deaza-7-iodo-2'-deoxyguanosine

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

5-Iodo-2′-deoxyuridine54-42-255 % similar Ibacitabine611-53-050 % similar Telbivudine3424-98-446 % similar Thymidine50-89-546 % similar Bromodeoxyuridine59-14-345 % similar Cladribine4291-63-845 % similar 2-Amino-2′-deoxyadenosine4546-70-744 % similar 5-Chloro-2′-deoxyuridine50-90-843 % similar

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

Same formula

5-Iodotubercidin24386-93-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook