ChemSpider 2D Image | violide J | C28H38O14

violide J

  • Molecular FormulaC28H38O14
  • Average mass598.593 Da
  • Monoisotopic mass598.226135 Da
  • ChemSpider ID10227693

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(1S,3aS,4Z,6S,7R,8R,8aS,11R,12S,12aS,13S,13aS)-1,11,12,13a-Tetrahydroxy-1,5,8a,12-tetramethyl-2-oxo-1,2,3a,6,7,8,8a,11,12,12a,13,13a-dodecahydrobenzo[4,5]cyclodeca[1,2-b]furan-6,7,8,13-tetrayl tetraac etate [ACD/IUPAC Name]
(1S,3aS,4Z,6S,7R,8R,8aS,11R,12S,12aS,13S,13aS)-1,11,12,13a-Tetrahydroxy-1,5,8a,12-tetramethyl-2-oxo-1,2,3a,6,7,8,8a,11,12,12a,13,13a-dodecahydrobenzo[4,5]cyclodeca[1,2-b]furan-6,7,8,13-tetrayl-tetraac etat [German] [ACD/IUPAC Name]
Benzo[4,5]cyclodeca[1,2-b]furan-2(1H)-one, 6,7,8,13-tetrakis(acetyloxy)-3a,6,7,8,8a,11,12,12a,13,13a-decahydro-1,11,12,13a-tetrahydroxy-1,5,8a,12-tetramethyl-, (1S,3aS,4Z,6S,7R,8R,8aS,11R,12S,12aS,13S ,13aS)- [ACD/Index Name]
Tetraacétate de (1S,3aS,4Z,6S,7R,8R,8aS,11R,12S,12aS,13S,13aS)-1,11,12,13a-tétrahydroxy-1,5,8a,12-tétraméthyl-2-oxo-1,2,3a,6,7,8,8a,11,12,12a,13,13a-dodécahydrobenzo[4,5]cyclodéca[1,2-b]furane-6,7,8,1 3-tétrayle [French] [ACD/IUPAC Name]
violide J

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

Density: 1.4±0.1 g/cm3
Boiling Point: 644.5±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: 200.6±25.0 °C
Index of Refraction: 1.574
Molar Refractivity: 140.5±0.4 cm3
#H bond acceptors: 14
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 0.53
ACD/LogD (pH 5.5): 0.64
ACD/BCF (pH 5.5): 1.82
ACD/KOC (pH 5.5): 53.41
ACD/LogD (pH 7.4): 0.64
ACD/BCF (pH 7.4): 1.82
ACD/KOC (pH 7.4): 53.38
Polar Surface Area: 212 Å2
Polarizability: 55.7±0.5 10-24cm3
Surface Tension: 63.3±5.0 dyne/cm
Molar Volume: 425.9±5.0 cm3

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