ChemSpider 2D Image | (8aS,18aS)-2,5,15-Trihydroxy-8a,12-dimethoxy-3,7,7,10,14-pentamethyl-8a,18a-dihydrodinaphtho[1,2-a:2',1'-i]oxanthren-8(7H)-one | C35H32O8

(8aS,18aS)-2,5,15-Trihydroxy-8a,12-dimethoxy-3,7,7,10,14-pentamethyl-8a,18a-dihydrodinaphtho[1,2-a:2',1'-i]oxanthren-8(7H)-one

  • Molecular FormulaC35H32O8
  • Average mass580.624 Da
  • Monoisotopic mass580.209717 Da
  • ChemSpider ID8523690

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(8aS,18aS)-2,5,15-Trihydroxy-8a,12-dimethoxy-3,7,7,10,14-pentamethyl-8a,18a-dihydrodinaphtho[1,2-a:2',1'-i]oxanthren-8(7H)-on [German] [ACD/IUPAC Name]
(8aS,18aS)-2,5,15-Trihydroxy-8a,12-dimethoxy-3,7,7,10,14-pentamethyl-8a,18a-dihydrodinaphtho[1,2-a:2',1'-i]oxanthren-8(7H)-one [ACD/IUPAC Name]
(8aS,18aS)-2,5,15-Trihydroxy-8a,12-diméthoxy-3,7,7,10,14-pentaméthyl-8a,18a-dihydrodinaphto[1,2-a:2',1'-i]oxanthrén-8(7H)-one [French] [ACD/IUPAC Name]
Diphenanthro[2,3-b:4',3'-e][1,4]dioxin-8(7H)-one, 8a,18a-dihydro-2,5,15-trihydroxy-8a,12-dimethoxy-3,7,7,10,14-pentamethyl-, (8aS,18aS)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 832.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 125.2±3.0 kJ/mol
Flash Point: 270.4±27.8 °C
Index of Refraction: 1.747
Molar Refractivity: 162.6±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 6.81
ACD/LogD (pH 5.5): 6.32
ACD/BCF (pH 5.5): 37190.31
ACD/KOC (pH 5.5): 65014.36
ACD/LogD (pH 7.4): 6.29
ACD/BCF (pH 7.4): 35209.24
ACD/KOC (pH 7.4): 61551.14
Polar Surface Area: 115 Å2
Polarizability: 64.5±0.5 10-24cm3
Surface Tension: 77.0±5.0 dyne/cm
Molar Volume: 400.4±5.0 cm3

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