ChemSpider 2D Image | (1R,2R,4S,4'S,6S,9S,10R)-10-(3-Furyl)-2-hydroxy-5',5'-dimethyl-4'-[(2S)-2-methyl-5-oxo-2,5-dihydro-2-furanyl]dihydro-3'H-spiro[5,11-dioxatetracyclo[7.3.1.0~1,9~.0~2,6~]tridecane-4,2'-furan]-12-one | C25H28O8

(1R,2R,4S,4'S,6S,9S,10R)-10-(3-Furyl)-2-hydroxy-5',5'-dimethyl-4'-[(2S)-2-methyl-5-oxo-2,5-dihydro-2-furanyl]dihydro-3'H-spiro[5,11-dioxatetracyclo[7.3.1.01,9.02,6]tridecane-4,2'-furan]-12-one

  • Molecular FormulaC25H28O8
  • Average mass456.485 Da
  • Monoisotopic mass456.178406 Da
  • ChemSpider ID30654606

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(1R,2R,4S,4'S,6S,9S,10R)-10-(3-Furyl)-2-hydroxy-5',5'-dimethyl-4'-[(2S)-2-methyl-5-oxo-2,5-dihydro-2-furanyl]dihydro-3'H-spiro[5,11-dioxatetracyclo[7.3.1.01,9.02,6]tridecane-4,2'-furan]-12-one [ACD/IUPAC 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: 699.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.6±3.0 kJ/mol
Flash Point: 377.1±31.5 °C
Index of Refraction: 1.635
Molar Refractivity: 112.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.04
ACD/LogD (pH 5.5): 1.08
ACD/BCF (pH 5.5): 3.89
ACD/KOC (pH 5.5): 91.99
ACD/LogD (pH 7.4): 1.08
ACD/BCF (pH 7.4): 3.89
ACD/KOC (pH 7.4): 91.99
Polar Surface Area: 104 Å2
Polarizability: 44.7±0.5 10-24cm3
Surface Tension: 64.0±5.0 dyne/cm
Molar Volume: 315.1±5.0 cm3

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