ChemSpider 2D Image | (2R,2''R,3S,4a''S,5R,5'R,6''S,8a''S)-2,5-Dimethoxy-2'',5'',5'',8a''-tetramethyldodecahydro-2''H-dispiro[furan-3,2'-furan-5',1''-naphthalen]-6''-yl acetate | C24H40O6

(2R,2''R,3S,4a''S,5R,5'R,6''S,8a''S)-2,5-Dimethoxy-2'',5'',5'',8a''-tetramethyldodecahydro-2''H-dispiro[furan-3,2'-furan-5',1''-naphthalen]-6''-yl acetate

  • Molecular FormulaC24H40O6
  • Average mass424.571 Da
  • Monoisotopic mass424.282501 Da
  • ChemSpider ID30826928

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(2R,2''R,3S,4a''S,5R,5'R,6''S,8a''S)-2,5-Dimethoxy-2'',5'',5'',8a''-tetramethyldodecahydro-2''H-dispiro[furan-3,2'-furan-5',1''-naphthalen]-6''-yl acetate [ACD/IUPAC Name]
(2R,2''R,3S,4a''S,5R,5'R,6''S,8a''S)-2,5-Dimethoxy-2'',5'',5'',8a''-tetramethyldodecahydro-2''H-dispiro[furan-3,2'-furan-5',1''-naphthalen]-6''-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (2R,2''R,3S,4a''S,5R,5'R,6''S,8a''S)-2,5-diméthoxy-2'',5'',5'',8a''-tétraméthyldodécahydro-2''H-dispiro[furan-3,2'-furan-5',1''-naphthalen]-6''-yle [French] [ACD/IUPAC Name]
Dispiro[furan-3(2H),2'(5'H)-furan-5',1''(2''H)-naphthalen]-6''-ol, dodecahydro-2,5-dimethoxy-2'',5'',5'',8''a-tetramethyl-, acetate, (2R,2''R,3S,4a''S,5R,5'R,6''S,8a''S)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 488.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.4±3.0 kJ/mol
Flash Point: 207.2±28.8 °C
Index of Refraction: 1.512
Molar Refractivity: 113.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.60
ACD/LogD (pH 5.5): 4.33
ACD/BCF (pH 5.5): 1143.16
ACD/KOC (pH 5.5): 5377.64
ACD/LogD (pH 7.4): 4.33
ACD/BCF (pH 7.4): 1143.16
ACD/KOC (pH 7.4): 5377.64
Polar Surface Area: 63 Å2
Polarizability: 45.1±0.5 10-24cm3
Surface Tension: 40.4±5.0 dyne/cm
Molar Volume: 379.0±5.0 cm3

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