ChemSpider 2D Image | ananolignan G | C28H34O10

ananolignan G

  • Molecular FormulaC28H34O10
  • Average mass530.564 Da
  • Monoisotopic mass530.215210 Da
  • ChemSpider ID26398352

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(5R,6S,7R,8R)-5-Acetoxy-1,2,3,13-tetramethoxy-6,7-dimethyl-5,6,7,8-tetrahydrobenzo[3',4']cycloocta[1',2':4,5]benzo[1,2-d][1,3]dioxol-8-yl propionate [ACD/IUPAC Name]
(5R,6S,7R,8R)-5-Acetoxy-1,2,3,13-tetramethoxy-6,7-dimethyl-5,6,7,8-tetrahydrobenzo[3',4']cycloocta[1',2':4,5]benzo[1,2-d][1,3]dioxol-8-ylpropionat [German] [ACD/IUPAC Name]
ananolignan G
Benzo[3',4']cycloocta[1',2':4,5]benzo[1,2-d][1,3]dioxole-5,8-diol, 5,6,7,8-tetrahydro-1,2,3,13-tetramethoxy-6,7-dimethyl-, 5-acetate 8-propanoate, (5R,6S,7R,8R)- [ACD/Index Name]
Propionate de (5R,6S,7R,8R)-5-acétoxy-1,2,3,13-tétraméthoxy-6,7-diméthyl-5,6,7,8-tétrahydrobenzo[3',4']cycloocta[1',2':4,5]benzo[1,2-d][1,3]dioxol-8-yle [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: 609.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.5±3.0 kJ/mol
Flash Point: 256.8±31.5 °C
Index of Refraction: 1.569
Molar Refractivity: 135.5±0.4 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 5.10
ACD/LogD (pH 5.5): 3.91
ACD/BCF (pH 5.5): 551.59
ACD/KOC (pH 5.5): 3191.94
ACD/LogD (pH 7.4): 3.91
ACD/BCF (pH 7.4): 551.59
ACD/KOC (pH 7.4): 3191.94
Polar Surface Area: 108 Å2
Polarizability: 53.7±0.5 10-24cm3
Surface Tension: 52.0±5.0 dyne/cm
Molar Volume: 413.5±5.0 cm3

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