ChemSpider 2D Image | (3aS,4S,5aR,9aR,9bS,3a'S,4'S,5a'R,9a'R,9b'S)-4,4'-{[2-(Allyloxy)-1,3-propanediyl]bis(oxy-2,1-ethanediyloxy)}bis(2,2,8,8-tetramethylhexahydro[1,3]dioxolo[4,5]pyrano[3,2-d][1,3]dioxine) (non-preferred n ame) | C34H56O15

(3aS,4S,5aR,9aR,9bS,3a'S,4'S,5a'R,9a'R,9b'S)-4,4'-{[2-(Allyloxy)-1,3-propanediyl]bis(oxy-2,1-ethanediyloxy)}bis(2,2,8,8-tetramethylhexahydro[1,3]dioxolo[4,5]pyrano[3,2-d][1,3]dioxine) (non-preferred n ame)

  • Molecular FormulaC34H56O15
  • Average mass704.799 Da
  • Monoisotopic mass704.361938 Da
  • ChemSpider ID9574721

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(3aS,4S,5aR,9aR,9bS,3a'S,4'S,5a'R,9a'R,9b'S)-4,4'-{[2-(Allyloxy)-1,3-propandiyl]bis(oxy-2,1-ethandiyloxy)}bis(2,2,8,8-tetramethylhexahydro[1,3]dioxolo[4,5]pyrano[3,2-d][1,3]dioxin) (non-preferred name ) [German] [ACD/IUPAC Name]
(3aS,4S,5aR,9aR,9bS,3a'S,4'S,5a'R,9a'R,9b'S)-4,4'-{[2-(Allyloxy)-1,3-propanediyl]bis(oxy-2,1-ethanediyloxy)}bis(2,2,8,8-tetramethylhexahydro[1,3]dioxolo[4,5]pyrano[3,2-d][1,3]dioxine) (non-preferred n ame) [ACD/IUPAC Name]
(3aS,4S,5aR,9aR,9bS,3a'S,4'S,5a'R,9a'R,9b'S)-4,4'-{[2-(Allyloxy)-1,3-propanediyl]bis(oxy-2,1-éthanediyloxy)}bis(2,2,8,8-tétraméthylhexahydro[1,3]dioxolo[4,5]pyrano[3,2-d][1,3]dioxine) (non-preferred n ame) [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 715.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 100.9±3.0 kJ/mol
Flash Point: 260.2±32.8 °C
Index of Refraction: 1.526
Molar Refractivity: 172.9±0.4 cm3
#H bond acceptors: 15
#H bond donors: 0
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 7.18
ACD/LogD (pH 5.5): 5.77
ACD/BCF (pH 5.5): 14396.60
ACD/KOC (pH 5.5): 32966.30
ACD/LogD (pH 7.4): 5.77
ACD/BCF (pH 7.4): 14396.60
ACD/KOC (pH 7.4): 32966.30
Polar Surface Area: 138 Å2
Polarizability: 68.5±0.5 10-24cm3
Surface Tension: 46.6±5.0 dyne/cm
Molar Volume: 563.6±5.0 cm3

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