ChemSpider 2D Image | 5-({[(1R,4R,5S)-4,5-Dihydroxy-2-cyclopenten-1-yl]amino}methyl)-2-imino-7-(beta-D-ribofuranosyl)-1,2,3,7-tetrahydro-4H-pyrrolo[2,3-d]pyrimidin-4-one | C17H23N5O7

5-({[(1R,4R,5S)-4,5-Dihydroxy-2-cyclopenten-1-yl]amino}methyl)-2-imino-7-(β-D-ribofuranosyl)-1,2,3,7-tetrahydro-4H-pyrrolo[2,3-d]pyrimidin-4-one

  • Molecular FormulaC17H23N5O7
  • Average mass409.394 Da
  • Monoisotopic mass409.159760 Da
  • ChemSpider ID68025957

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

4H-Pyrrolo[2,3-d]pyrimidin-4-one, 5-[[[(1R,4R,5S)-4,5-dihydroxy-2-cyclopenten-1-yl]amino]methyl]-1,2,3,7-tetrahydro-2-imino-7-β-D-ribofuranosyl- [ACD/Index Name]
5-({[(1R,4R,5S)-4,5-Dihydroxy-2-cyclopenten-1-yl]amino}methyl)-2-imino-7-(β-D-ribofuranosyl)-1,2,3,7-tetrahydro-4H-pyrrolo[2,3-d]pyrimidin-4-on [German] [ACD/IUPAC Name]
5-({[(1R,4R,5S)-4,5-Dihydroxy-2-cyclopenten-1-yl]amino}methyl)-2-imino-7-(β-D-ribofuranosyl)-1,2,3,7-tetrahydro-4H-pyrrolo[2,3-d]pyrimidin-4-one [ACD/IUPAC Name]
5-({[(1R,4R,5S)-4,5-Dihydroxy-2-cyclopentén-1-yl]amino}méthyl)-2-imino-7-(β-D-ribofuranosyl)-1,2,3,7-tétrahydro-4H-pyrrolo[2,3-d]pyrimidin-4-one [French] [ACD/IUPAC Name]
nucleoside Q
Q [Formula]

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

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 2.0±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.865
Molar Refractivity: 92.2±0.5 cm3
#H bond acceptors: 12
#H bond donors: 9
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: -2.62
ACD/LogD (pH 5.5): -6.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.72
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 192 Å2
Polarizability: 36.6±0.5 10-24cm3
Surface Tension: 100.2±7.0 dyne/cm
Molar Volume: 203.9±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement