ChemSpider 2D Image | (2R,2'R,2''S,2'''R,3R,3''S,3'''R,4S,4'''S,5'S,6'S,6''R)-3,3'',3''',5'-Tetramethylhexadecahydro-2H,2'H,2''H,2'''H-2,2':6',2'':6'',2'''-quaterpyran-4,4'''-diyl diacetate | C28H46O8

(2R,2'R,2''S,2'''R,3R,3''S,3'''R,4S,4'''S,5'S,6'S,6''R)-3,3'',3''',5'-Tetramethylhexadecahydro-2H,2'H,2''H,2'''H-2,2':6',2'':6'',2'''-quaterpyran-4,4'''-diyl diacetate

  • Molecular FormulaC28H46O8
  • Average mass510.660 Da
  • Monoisotopic mass510.319275 Da
  • ChemSpider ID8611801

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(2R,2'R,2''S,2'''R,3R,3''S,3'''R,4S,4'''S,5'S,6'S,6''R)-3,3'',3''',5'-Tetramethylhexadecahydro-2H,2'H,2''H,2'''H-2,2':6',2'':6'',2'''-quaterpyran-4,4'''-diyl diacetate [ACD/IUPAC Name]
(2R,2'R,2''S,2'''R,3R,3''S,3'''R,4S,4'''S,5'S,6'S,6''R)-3,3'',3''',5'-Tetramethylhexadecahydro-2H,2'H,2''H,2'''H-2,2':6',2'':6'',2'''-quaterpyran-4,4'''-diyl-diacetat [German] [ACD/IUPAC Name]
Diacétate de (2R,2'R,2''S,2'''R,3R,3''S,3'''R,4S,4'''S,5'S,6'S,6''R)-3,3'',3''',5'-tétraméthylhexadécahydro-2H,2'H,2''H,2'''H-2,2':6',2'':6'',2'''-quaterpyrane-4,4'''-diyle [French] [ACD/IUPAC 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: 572.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.8±3.0 kJ/mol
Flash Point: 239.5±30.2 °C
Index of Refraction: 1.509
Molar Refractivity: 133.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 4.26
ACD/LogD (pH 5.5): 4.16
ACD/BCF (pH 5.5): 846.79
ACD/KOC (pH 5.5): 4338.13
ACD/LogD (pH 7.4): 4.16
ACD/BCF (pH 7.4): 846.79
ACD/KOC (pH 7.4): 4338.13
Polar Surface Area: 90 Å2
Polarizability: 53.1±0.5 10-24cm3
Surface Tension: 41.9±5.0 dyne/cm
Molar Volume: 448.9±5.0 cm3

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