ChemSpider 2D Image | 5-Iodo-7-(beta-D-ribofuranosyl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-amine | C11H15IN4O4

5-Iodo-7-(β-D-ribofuranosyl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-amine

  • Molecular FormulaC11H15IN4O4
  • Average mass394.166 Da
  • Monoisotopic mass394.013794 Da
  • ChemSpider ID58823683
  • defined stereocentres - 4 of 5 defined stereocentres


More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

5H-Pyrrolo[2,3-d]pyrimidin-4-amine, 6,7-dihydro-5-iodo-7-β-D-ribofuranosyl- [ACD/Index Name]
5-Iod-7-(β-D-ribofuranosyl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-amin [German] [ACD/IUPAC Name]
5-Iodo-7-(β-D-ribofuranosyl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-amine [ACD/IUPAC Name]
5-Iodo-7-(β-D-ribofuranosyl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-amine [French] [ACD/IUPAC Name]
(2R,3R,4S,5R)-2-(4-amino-5-iodo-5H-pyrrolo[2,3-d]pyrimidin-7(6H)-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
24386-93-4 [RN]

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]
  • Miscellaneous
    • Appearance:

      Not Available Novochemy [NC-41368]
    • Safety:

      20/21/22 Novochemy [NC-41368]
      20/21/36/37/39 Novochemy [NC-41368]
      GHS07; GHS09 Novochemy [NC-41368]
      H332; H403 Novochemy [NC-41368]
      P332+P313; P305+P351+P338 Novochemy [NC-41368]
      R52/53 Novochemy [NC-41368]
      Warning Novochemy [NC-41368]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 2.1±0.1 g/cm3
Boiling Point: 619.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.6±3.0 kJ/mol
Flash Point: 328.7±31.5 °C
Index of Refraction: 1.781
Molar Refractivity: 77.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 0.02
ACD/LogD (pH 5.5): -0.50
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 10.23
ACD/LogD (pH 7.4): -0.30
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 16.32
Polar Surface Area: 125 Å2
Polarizability: 30.7±0.5 10-24cm3
Surface Tension: 116.8±5.0 dyne/cm
Molar Volume: 184.2±5.0 cm3

Click to predict properties on the Chemicalize site






Advertisement