ChemSpider 2D Image | 1-{(1S,3R,4R,7S)-1-[(1S)-1-{[(2S,3R,4S,5R)-5-(Aminomethyl)-3,4-dihydroxytetrahydro-2-furanyl]oxy}propyl]-7-hydroxy-2,5-dioxabicyclo[2.2.1]hept-3-yl}-2,4(1H,3H)-pyrimidinedione (non-preferred name) | C17H25N3O9

1-{(1S,3R,4R,7S)-1-[(1S)-1-{[(2S,3R,4S,5R)-5-(Aminomethyl)-3,4-dihydroxytetrahydro-2-furanyl]oxy}propyl]-7-hydroxy-2,5-dioxabicyclo[2.2.1]hept-3-yl}-2,4(1H,3H)-pyrimidinedione (non-preferred name)

  • Molecular FormulaC17H25N3O9
  • Average mass415.395 Da
  • Monoisotopic mass415.159088 Da
  • ChemSpider ID129303508

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

1-{(1S,3R,4R,7S)-1-[(1S)-1-{[(2S,3R,4S,5R)-5-(Aminomethyl)-3,4-dihydroxytetrahydro-2-furanyl]oxy}propyl]-7-hydroxy-2,5-dioxabicyclo[2.2.1]hept-3-yl}-2,4(1H,3H)-pyrimidindion (non-preferred name) [German] [ACD/IUPAC Name]
1-{(1S,3R,4R,7S)-1-[(1S)-1-{[(2S,3R,4S,5R)-5-(Aminomethyl)-3,4-dihydroxytetrahydro-2-furanyl]oxy}propyl]-7-hydroxy-2,5-dioxabicyclo[2.2.1]hept-3-yl}-2,4(1H,3H)-pyrimidinedione (non-preferred name) [ACD/IUPAC Name]
1-{(1S,3R,4R,7S)-1-[(1S)-1-{[(2S,3R,4S,5R)-5-(Aminométhyl)-3,4-dihydroxytétrahydro-2-furanyl]oxy}propyl]-7-hydroxy-2,5-dioxabicyclo[2.2.1]hept-3-yl}-2,4(1H,3H)-pyrimidinedione (non-preferred name) [French] [ACD/IUPAC Name]
2,4(1H,3H)-Pyrimidinedione, 1-[4-C-[(1S)-1-[(5-amino-5-deoxy-β-D-ribofuranosyl)oxy]propyl]-2,5-anhydro-α-L-lyxofuranosyl]- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.654
Molar Refractivity: 95.3±0.4 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -0.96
ACD/LogD (pH 5.5): -4.65
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.47
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 173 Å2
Polarizability: 37.8±0.5 10-24cm3
Surface Tension: 84.3±5.0 dyne/cm
Molar Volume: 260.0±5.0 cm3

Click to predict properties on the Chemicalize site


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