ChemSpider 2D Image | (8aS,18aR)-5-Hydroxy-2,8a,12,15-tetramethoxy-3,7,7,10,14-pentamethyl-8a,18a-dihydrodinaphtho[1,2-a:2',1'-i]oxanthren-8(7H)-one | C37H36O8

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

  • Molecular FormulaC37H36O8
  • Average mass608.677 Da
  • Monoisotopic mass608.241028 Da
  • ChemSpider ID30820779

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(8aS,18aR)-5-Hydroxy-2,8a,12,15-tetramethoxy-3,7,7,10,14-pentamethyl-8a,18a-dihydrodinaphtho[1,2-a:2',1'-i]oxanthren-8(7H)-on [German] [ACD/IUPAC Name]
(8aS,18aR)-5-Hydroxy-2,8a,12,15-tetramethoxy-3,7,7,10,14-pentamethyl-8a,18a-dihydrodinaphtho[1,2-a:2',1'-i]oxanthren-8(7H)-one [ACD/IUPAC Name]
(8aS,18aR)-5-Hydroxy-2,8a,12,15-tétraméthoxy-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-5-hydroxy-2,8a,12,15-tetramethoxy-3,7,7,10,14-pentamethyl-, (8aS,18aR)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 797.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 119.9±3.0 kJ/mol
Flash Point: 252.9±26.4 °C
Index of Refraction: 1.692
Molar Refractivity: 172.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 7.91
ACD/LogD (pH 5.5): 7.23
ACD/BCF (pH 5.5): 184987.27
ACD/KOC (pH 5.5): 204990.94
ACD/LogD (pH 7.4): 7.22
ACD/BCF (pH 7.4): 178006.09
ACD/KOC (pH 7.4): 197254.88
Polar Surface Area: 93 Å2
Polarizability: 68.3±0.5 10-24cm3
Surface Tension: 64.0±5.0 dyne/cm
Molar Volume: 449.9±5.0 cm3

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