ChemSpider 2D Image | fascioquinol D | C26H38O2

fascioquinol D

  • Molecular FormulaC26H38O2
  • Average mass382.579 Da
  • Monoisotopic mass382.287170 Da
  • ChemSpider ID27025488

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(4aS,4bR,6aR,12aS,12bR,14aS)-1,1,4a,6a,12b-Pentamethyl-2,3,4,4a,4b,5,6,6a,12,12a,12b,13,14,14a-tetradecahydro-1H-naphtho[2,1-a]xanthen-10-ol [German] [ACD/IUPAC Name]
(4aS,4bR,6aR,12aS,12bR,14aS)-1,1,4a,6a,12b-Pentamethyl-2,3,4,4a,4b,5,6,6a,12,12a,12b,13,14,14a-tetradecahydro-1H-naphtho[2,1-a]xanthen-10-ol [ACD/IUPAC Name]
(4aS,4bR,6aR,12aS,12bR,14aS)-1,1,4a,6a,12b-Pentaméthyl-2,3,4,4a,4b,5,6,6a,12,12a,12b,13,14,14a-tétradécahydro-1H-naphto[2,1-a]xanthén-10-ol [French] [ACD/IUPAC Name]
1H-Naphtho[2,1-a]xanthen-10-ol, 2,3,4,4a,4b,5,6,6a,12,12a,12b,13,14,14a-tetradecahydro-1,1,4a,6a,12b-pentamethyl-, (4aS,4bR,6aR,12aS,12bR,14aS)- [ACD/Index Name]
fascioquinol D

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

Density: 1.0±0.1 g/cm3
Boiling Point: 488.2±34.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.3±3.0 kJ/mol
Flash Point: 202.0±19.9 °C
Index of Refraction: 1.541
Molar Refractivity: 114.6±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 9.18
ACD/LogD (pH 5.5): 8.72
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1322107.75
ACD/LogD (pH 7.4): 8.72
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1320951.25
Polar Surface Area: 29 Å2
Polarizability: 45.4±0.5 10-24cm3
Surface Tension: 42.5±3.0 dyne/cm
Molar Volume: 364.3±3.0 cm3

Click to predict properties on the Chemicalize site


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