ChemSpider 2D Image | 4-acetoxybriviolide D | C28H36O12

4-acetoxybriviolide D

  • Molecular FormulaC28H36O12
  • Average mass564.578 Da
  • Monoisotopic mass564.220703 Da
  • ChemSpider ID9709008

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(3aS,4Z,6S,7R,8R,8aS,11R,12S,12aS,13S)-11,12-Dihydroxy-1,5,8a,12-tetramethyl-2-oxo-2,3a,6,7,8,8a,11,12,12a,13-decahydrobenzo[4,5]cyclodeca[1,2-b]furan-6,7,8,13-tetrayl tetraacetate [ACD/IUPAC Name]
(3aS,4Z,6S,7R,8R,8aS,11R,12S,12aS,13S)-11,12-Dihydroxy-1,5,8a,12-tetramethyl-2-oxo-2,3a,6,7,8,8a,11,12,12a,13-decahydrobenzo[4,5]cyclodeca[1,2-b]furan-6,7,8,13-tetrayl-tetraacetat [German] [ACD/IUPAC Name]
4-acetoxybriviolide D
Benzo[4,5]cyclodeca[1,2-b]furan-2(3aH)-one, 6,7,8,13-tetrakis(acetyloxy)-6,7,8,8a,11,12,12a,13-octahydro-11,12-dihydroxy-1,5,8a,12-tetramethyl-, (3aS,4Z,6S,7R,8R,8aS,11R,12S,12aS,13S)- [ACD/Index Name]
Tetraacétate de (3aS,4Z,6S,7R,8R,8aS,11R,12S,12aS,13S)-11,12-dihydroxy-1,5,8a,12-tétraméthyl-2-oxo-2,3a,6,7,8,8a,11,12,12a,13-décahydrobenzo[4,5]cyclodéca[1,2-b]furane-6,7,8,13-tétrayle [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: 644.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.3 mmHg at 25°C
Enthalpy of Vaporization: 108.9±6.0 kJ/mol
Flash Point: 203.4±25.0 °C
Index of Refraction: 1.559
Molar Refractivity: 136.8±0.4 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 1.22
ACD/LogD (pH 5.5): 1.70
ACD/BCF (pH 5.5): 11.50
ACD/KOC (pH 5.5): 199.94
ACD/LogD (pH 7.4): 1.70
ACD/BCF (pH 7.4): 11.50
ACD/KOC (pH 7.4): 199.94
Polar Surface Area: 172 Å2
Polarizability: 54.2±0.5 10-24cm3
Surface Tension: 55.2±5.0 dyne/cm
Molar Volume: 423.7±5.0 cm3

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