ChemSpider 2D Image | (5R,6R,7S,8R)-3-(Octylamino)-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridine-5,6,7,8-tetrol | C15H29N3O4

(5R,6R,7S,8R)-3-(Octylamino)-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridine-5,6,7,8-tetrol

  • Molecular FormulaC15H29N3O4
  • Average mass315.409 Da
  • Monoisotopic mass315.215820 Da
  • ChemSpider ID29414215
  • defined stereocentres - 4 of 5 defined stereocentres


More details:






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

(5R,6R,7S,8R)-3-(Octylamino)-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-5,6,7,8-tetrol [German] [ACD/IUPAC Name]
(5R,6R,7S,8R)-3-(Octylamino)-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridine-5,6,7,8-tetrol [ACD/IUPAC Name]
(5R,6R,7S,8R)-3-(Octylamino)-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridine-5,6,7,8-tétrol [French] [ACD/IUPAC Name]
Imidazo[1,5-a]pyridine-5,6,7,8-tetrol, 1,5,6,7,8,8a-hexahydro-3-(octylamino)-, (5R,6R,7S,8R)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 458.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 82.8±6.0 kJ/mol
Flash Point: 230.8±31.5 °C
Index of Refraction: 1.626
Molar Refractivity: 79.9±0.5 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 1.79
ACD/LogD (pH 5.5): -0.69
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.22
ACD/LogD (pH 7.4): -0.69
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.23
Polar Surface Area: 109 Å2
Polarizability: 31.7±0.5 10-24cm3
Surface Tension: 54.5±7.0 dyne/cm
Molar Volume: 225.6±7.0 cm3

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