ChemSpider 2D Image | 4,7-epoxy-4H,10H-[1,3]diazocino[1,2,3-cd]purin-10-one, 5,6,7,8-tetrahydro-5,6,12-trihydroxy-, (4R,5R,7R)- | C10H10N4O5

4,7-epoxy-4H,10H-[1,3]diazocino[1,2,3-cd]purin-10-one, 5,6,7,8-tetrahydro-5,6,12-trihydroxy-, (4R,5R,7R)-

  • Molecular FormulaC10H10N4O5
  • Average mass266.210 Da
  • Monoisotopic mass266.065125 Da
  • ChemSpider ID21431294

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

4,7-epoxy-4H,10H-[1,3]diazocino[1,2,3-cd]purin-10-one, 5,6,7,8-tetrahydro-5,6,12-trihydroxy-, (4R,5R,7R)-

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

Density: 2.5±0.1 g/cm3
Boiling Point: 750.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.8±3.0 kJ/mol
Flash Point: 407.7±35.7 °C
Index of Refraction: 2.123
Molar Refractivity: 57.2±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -1.84
ACD/LogD (pH 5.5): -3.48
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.86
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 120 Å2
Polarizability: 22.7±0.5 10-24cm3
Surface Tension: 148.6±7.0 dyne/cm
Molar Volume: 106.2±7.0 cm3

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