ChemSpider 2D Image | (1R,3S,5R,6R,7R,10E,11E,15R,16S,17R,18R)-6,16,17,18-Tetrahydroxy-10-(4-hydroxy-2,3-dimethoxybenzylidene)-11-(4-hydroxy-3,5-dimethoxybenzylidene)-3,5-bis(hydroxymethyl)-2,4,8,13,19-pentaoxatricyclo[13. 3.1.0~3,7~]nonadecane-9,12-dione | C34H40O19

(1R,3S,5R,6R,7R,10E,11E,15R,16S,17R,18R)-6,16,17,18-Tetrahydroxy-10-(4-hydroxy-2,3-dimethoxybenzylidene)-11-(4-hydroxy-3,5-dimethoxybenzylidene)-3,5-bis(hydroxymethyl)-2,4,8,13,19-pentaoxatricyclo[13. 3.1.03,7]nonadecane-9,12-dione

  • Molecular FormulaC34H40O19
  • Average mass752.670 Da
  • Monoisotopic mass752.216370 Da
  • ChemSpider ID10142328

  • 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

(1R,3S,5R,6R,7R,10E,11E,15R,16S,17R,18R)-6,16,17,18-Tetrahydroxy-10-(4-hydroxy-2,3-dimethoxybenzyliden)-11-(4-hydroxy-3,5-dimethoxybenzyliden)-3,5-bis(hydroxymethyl)-2,4,8,13,19-pentaoxatricyclo[13.3. ;1.03,7]nonadecan-9,12-dion [German] [ACD/IUPAC Name]
(1R,3S,5R,6R,7R,10E,11E,15R,16S,17R,18R)-6,16,17,18-Tetrahydroxy-10-(4-hydroxy-2,3-dimethoxybenzylidene)-11-(4-hydroxy-3,5-dimethoxybenzylidene)-3,5-bis(hydroxymethyl)-2,4,8,13,19-pentaoxatricyclo[13. ;3.1.03,7]nonadecane-9,12-dione [ACD/IUPAC Name]
(1R,3S,5R,6R,7R,10E,11E,15R,16S,17R,18R)-6,16,17,18-Tétrahydroxy-10-(4-hydroxy-2,3-diméthoxybenzylidène)-11-(4-hydroxy-3,5-diméthoxybenzylidène)-3,5-bis(hydroxyméthyl)-2,4,8,13,19-pentaoxatricyclo[13. ;3.1.03,7]nonadécane-9,12-dione [French] [ACD/IUPAC Name]
Glomeratose E

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

Density: 1.5±0.1 g/cm3
Boiling Point: 1060.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 162.8±3.0 kJ/mol
Flash Point: 331.9±27.8 °C
Index of Refraction: 1.644
Molar Refractivity: 179.4±0.3 cm3
#H bond acceptors: 19
#H bond donors: 8
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 1.49
ACD/LogD (pH 5.5): 0.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 28.89
ACD/LogD (pH 7.4): 0.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 26.94
Polar Surface Area: 279 Å2
Polarizability: 71.1±0.5 10-24cm3
Surface Tension: 70.7±3.0 dyne/cm
Molar Volume: 495.6±3.0 cm3

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