chempirical

5-Iodotubercidin

C11H13IN4O4CAS 24386-93-4392.15 g/mol

Open in Covalent MOL file
H2NNNINOOHOHHO
AlcoholAryl halideEtherPrimary amine

Properties

Molecular formula
C11H13IN4O4
Molar mass
392.15 g/mol
Exact mass
391.9982 Da
Melting point
215 °C
logP
-0.77Crippen estimate
Polar surface area
126.7 Ų
H-bond donors / acceptors
4 / 7
Rotatable bonds
2
Stereocentres
R, R, S, Rin SMILES atom order

Identifiers

CAS number
24386-93-4
SMILES
Nc1ncnc2c1c(I)cn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
InChIKey
WHSIXKUPQCKWBY-IOSLPCCCSA-N
InChI
InChI=1S/C11H13IN4O4/c12-4-1-16(10-6(4)9(13)14-3-15-10)11-8(19)7(18)5(2-17)20-11/h1,3,5,7-8,11,17-19H,2H2,(H2,13,14,15)/t5-,7-,8-,11-/m1/s1

Weigh it out

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

Names and synonyms

9 names
  • 7H-Pyrrolo[2,3-d]pyrimidin-4-amine, 5-iodo-7-β-D-ribofuranosyl-
  • 7H-Pyrrolo[2,3-d]pyrimidine, 4-amino-5-iodo-7-β-D-ribofuranosyl-
  • 5-Iodo-7-β-D-ribofuranosyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
  • 4-Amino-5-iodo-7-β-D-ribofuranosyl-7H-pyrrolo[2,3-d]pyrimidine
  • NSC 113939
  • 4-Amino-5-iodo-7-β-D-ribofuranosylpyrrolo[2,3-d]pyrimidine
  • 7-Iodotubercidin
  • 7-Iodo-7-deazaadenosine
  • NQZ-020

Work with 5-Iodotubercidin

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

Vidarabine5536-17-464 % similar Adenosine58-61-764 % similar Tubercidin69-33-062 % similar 8-Bromoadenosine2946-39-653 % similar 3′-O-Methyladenosine10300-22-851 % similar 2′-O-Methyladenosine2140-79-651 % similar 2-Chloroadenosine146-77-050 % similar Isoguanosine1818-71-950 % similar

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

Same formula

7-Deaza-7-iodo-2'-deoxyguanosine172163-62-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook