ChemSpider 2D Image | (4a''R,5'R,6a''S,8''R,10b''R)-3'',3'',6a'',8'',10b''-Pentamethyldodecahydrodispiro[furan-3,2'-furan-5',7''-naphtho[2,1-d][1,3]dioxin]-5(4H)-one | C23H36O5

(4a''R,5'R,6a''S,8''R,10b''R)-3'',3'',6a'',8'',10b''-Pentamethyldodecahydrodispiro[furan-3,2'-furan-5',7''-naphtho[2,1-d][1,3]dioxin]-5(4H)-one

  • Molecular FormulaC23H36O5
  • Average mass392.529 Da
  • Monoisotopic mass392.256287 Da
  • ChemSpider ID71292156

  • defined stereocentres - 5 of 7 defined stereocentres

More details:

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

(4a''R,5'R,6a''S,8''R,10b''R)-3'',3'',6a'',8'',10b''-Pentamethyldodecahydrodispiro[furan-3,2'-furan-5',7''-naphtho[2,1-d][1,3]dioxin]-5(4H)-one [ACD/IUPAC Name]
Dispiro[furan-3(2H),2'(5'H)-furan-5',7''-[7H]naphtho[2,1-d][1,3]dioxin]-5(4H)-one, dodecahydro-3'',3'',6''a,8'',10''b-pentamethyl-, (4a''R,5'R,6a''S,8''R,10b''R)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 516.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.9±3.0 kJ/mol
Flash Point: 222.9±30.2 °C
Index of Refraction: 1.537
Molar Refractivity: 105.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.03
ACD/LogD (pH 5.5): 3.32
ACD/BCF (pH 5.5): 197.23
ACD/KOC (pH 5.5): 1528.80
ACD/LogD (pH 7.4): 3.32
ACD/BCF (pH 7.4): 197.23
ACD/KOC (pH 7.4): 1528.80
Polar Surface Area: 54 Å2
Polarizability: 41.8±0.5 10-24cm3
Surface Tension: 43.4±5.0 dyne/cm
Molar Volume: 337.3±5.0 cm3

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