ChemSpider 2D Image | 2-Methyl-2-propanyl (2E,4E)-5-[(2R,3R)-3-{(2R,3S,4a'S,5R,6'S,8a'R)-5-[(benzyloxy)methyl]-3,4a'-dimethyloctahydro-3H,3'H-spiro[furan-2,2'-pyrano[3,2-b]pyran]-6'-yl}-2-oxiranyl]-3,4-dimethyl-2,4-pentadi enoate | C34H48O7

2-Methyl-2-propanyl (2E,4E)-5-[(2R,3R)-3-{(2R,3S,4a'S,5R,6'S,8a'R)-5-[(benzyloxy)methyl]-3,4a'-dimethyloctahydro-3H,3'H-spiro[furan-2,2'-pyrano[3,2-b]pyran]-6'-yl}-2-oxiranyl]-3,4-dimethyl-2,4-pentadi enoate

  • Molecular FormulaC34H48O7
  • Average mass568.741 Da
  • Monoisotopic mass568.340027 Da
  • ChemSpider ID9540035

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 8 defined stereocentres

More details:

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

2-Methyl-2-propanyl (2E,4E)-5-[(2R,3R)-3-{(2R,3S,4a'S,5R,6'S,8a'R)-5-[(benzyloxy)methyl]-3,4a'-dimethyloctahydro-3H,3'H-spiro[furan-2,2'-pyrano[3,2-b]pyran]-6'-yl}-2-oxiranyl]-3,4-dimethyl-2,4-pentadi enoate [ACD/IUPAC 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: 660.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.1±3.0 kJ/mol
Flash Point: 272.5±31.5 °C
Index of Refraction: 1.553
Molar Refractivity: 158.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 6.08
ACD/LogD (pH 5.5): 5.61
ACD/BCF (pH 5.5): 10813.27
ACD/KOC (pH 5.5): 26859.37
ACD/LogD (pH 7.4): 5.61
ACD/BCF (pH 7.4): 10813.27
ACD/KOC (pH 7.4): 26859.37
Polar Surface Area: 76 Å2
Polarizability: 62.7±0.5 10-24cm3
Surface Tension: 44.9±5.0 dyne/cm
Molar Volume: 494.2±5.0 cm3

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