ChemSpider 2D Image | (6R)-6-Hydroxy-3-(beta-D-ribofuranosyl)-4,5,6,7-tetrahydroimidazo[4,5-e][1,4]diazepin-8(3H)-one | C11H16N4O6

(6R)-6-Hydroxy-3-(β-D-ribofuranosyl)-4,5,6,7-tetrahydroimidazo[4,5-e][1,4]diazepin-8(3H)-one

  • Molecular FormulaC11H16N4O6
  • Average mass300.268 Da
  • Monoisotopic mass300.106995 Da
  • ChemSpider ID28650611
  • defined stereocentres - 5 of 5 defined stereocentres


More details:






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

(6R)-6-Hydroxy-3-(β-D-ribofuranosyl)-4,5,6,7-tetrahydroimidazo[4,5-e][1,4]diazepin-8(3H)-on [German] [ACD/IUPAC Name]
(6R)-6-Hydroxy-3-(β-D-ribofuranosyl)-4,5,6,7-tetrahydroimidazo[4,5-e][1,4]diazepin-8(3H)-one [ACD/IUPAC Name]
(6R)-6-Hydroxy-3-(β-D-ribofuranosyl)-4,5,6,7-tétrahydroimidazo[4,5-e][1,4]diazépin-8(3H)-one [French] [ACD/IUPAC Name]
Imidazo[4,5-e][1,4]diazepin-8(3H)-one, 4,5,6,7-tetrahydro-6-hydroxy-3-β-D-ribofuranosyl-, (6R)- [ACD/Index Name]

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

Density: 2.1±0.1 g/cm3
Boiling Point: 920.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 140.3±3.0 kJ/mol
Flash Point: 510.7±34.3 °C
Index of Refraction: 1.867
Molar Refractivity: 64.4±0.5 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: -3.73
ACD/LogD (pH 5.5): -3.37
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.89
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 149 Å2
Polarizability: 25.5±0.5 10-24cm3
Surface Tension: 105.8±7.0 dyne/cm
Molar Volume: 142.0±7.0 cm3

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