ChemSpider 2D Image | Hamigeran M | C20H22BrNO3

Hamigeran M

  • Molecular FormulaC20H22BrNO3
  • Average mass404.298 Da
  • Monoisotopic mass403.078308 Da
  • ChemSpider ID34451996

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(8aR,11R,11aR)-3-Brom-4-hydroxy-11-isopropyl-2,8a-dimethyl-9,10,11,11a-tetrahydrobenzo[7,8]azuleno[6,5-d][1,3]oxazol-8(8aH)-on [German] [ACD/IUPAC Name]
(8aR,11R,11aR)-3-Bromo-4-hydroxy-11-isopropyl-2,8a-dimethyl-9,10,11,11a-tetrahydrobenzo[7,8]azuleno[6,5-d][1,3]oxazol-8(8aH)-one [ACD/IUPAC Name]
(8aR,11R,11aR)-3-Bromo-4-hydroxy-11-isopropyl-2,8a-diméthyl-9,10,11,11a-tétrahydrobenzo[7,8]azuléno[6,5-d][1,3]oxazol-8(8aH)-one [French] [ACD/IUPAC Name]
Benz[7,8]azuleno[6,5-d]oxazol-8(8aH)-one, 3-bromo-9,10,11,11a-tetrahydro-4-hydroxy-2,8a-dimethyl-11-(1-methylethyl)-, (8aR,11R,11aR)- [ACD/Index Name]
Hamigeran M

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

Density: 1.4±0.1 g/cm3
Boiling Point: 512.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.3±3.0 kJ/mol
Flash Point: 263.4±30.1 °C
Index of Refraction: 1.597
Molar Refractivity: 98.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 5.63
ACD/LogD (pH 5.5): 5.01
ACD/BCF (pH 5.5): 3692.47
ACD/KOC (pH 5.5): 12005.82
ACD/LogD (pH 7.4): 4.00
ACD/BCF (pH 7.4): 358.84
ACD/KOC (pH 7.4): 1166.74
Polar Surface Area: 63 Å2
Polarizability: 39.0±0.5 10-24cm3
Surface Tension: 49.9±3.0 dyne/cm
Molar Volume: 288.3±3.0 cm3

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