ChemSpider 2D Image | 3a,6b-Dihydroxy-2a-(hydroxymethyl)-1,1,5,7-tetramethyl-4-oxo-1,1a,1b,1c,2a,3,3a,4,6a,6b,7,8-dodecahydro-8aH-cyclopropa[5',6']benzo[1',2':7,8]azuleno[5,6-b]oxirene-8,8a-diyl dibenzoate | C34H36O9

3a,6b-Dihydroxy-2a-(hydroxymethyl)-1,1,5,7-tetramethyl-4-oxo-1,1a,1b,1c,2a,3,3a,4,6a,6b,7,8-dodecahydro-8aH-cyclopropa[5',6']benzo[1',2':7,8]azuleno[5,6-b]oxirene-8,8a-diyl dibenzoate

  • Molecular FormulaC34H36O9
  • Average mass588.644 Da
  • Monoisotopic mass588.235962 Da
  • ChemSpider ID384115

More details:

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

3a,6b-Dihydroxy-2a-(hydroxymethyl)-1,1,5,7-tetramethyl-4-oxo-1,1a,1b,1c,2a,3,3a,4,6a,6b,7,8-dodecahydro-8aH-cyclopropa[5',6']benzo[1',2':7,8]azuleno[5,6-b]oxiren-8,8a-diyl-dibenzoat [German] [ACD/IUPAC Name]
3a,6b-Dihydroxy-2a-(hydroxymethyl)-1,1,5,7-tetramethyl-4-oxo-1,1a,1b,1c,2a,3,3a,4,6a,6b,7,8-dodecahydro-8aH-cyclopropa[5',6']benzo[1',2':7,8]azuleno[5,6-b]oxirene-8,8a-diyl dibenzoate [ACD/IUPAC Name]
4H-Cyclopropa[5',6']benz[1',2':7,8]azuleno[5,6-b]oxiren-4-one, 8,8a-bis(benzoyloxy)-1,1a,1b,1c,2a,3,3a,6a,6b,7,8,8a-dodecahydro-3a,6b-dihydroxy-2a-(hydroxymethyl)-1,1,5,7-tetramethyl- [ACD/Index Name]
Dibenzoate de 3a,6b-dihydroxy-2a-(hydroxyméthyl)-1,1,5,7-tétraméthyl-4-oxo-1,1a,1b,1c,2a,3,3a,4,6a,6b,7,8-dodécahydro-8aH-cyclopropa[5',6']benzo[1',2':7,8]azuléno[5,6-b]oxirène-8,8a-diyle [French] [ACD/IUPAC Name]

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

NSC348696 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 742.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.6±3.0 kJ/mol
Flash Point: 237.3±26.4 °C
Index of Refraction: 1.664
Molar Refractivity: 152.9±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.03
ACD/LogD (pH 5.5): 4.94
ACD/BCF (pH 5.5): 3333.64
ACD/KOC (pH 5.5): 11569.09
ACD/LogD (pH 7.4): 4.94
ACD/BCF (pH 7.4): 3333.16
ACD/KOC (pH 7.4): 11567.45
Polar Surface Area: 143 Å2
Polarizability: 60.6±0.5 10-24cm3
Surface Tension: 70.0±5.0 dyne/cm
Molar Volume: 412.2±5.0 cm3

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