ChemSpider 2D Image | ananolignan F | C27H32O10

ananolignan F

  • Molecular FormulaC27H32O10
  • Average mass516.537 Da
  • Monoisotopic mass516.199524 Da
  • ChemSpider ID26343266

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(5R,6S,7R,8R)-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-5,8-diyl-diacetat [German] [ACD/IUPAC Name]
(5R,6S,7R,8R)-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]dioxole-5,8-diyl diacetate [ACD/IUPAC Name]
ananolignan F
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-, diacetate, (5R,6S,7R,8R)- [ACD/Index Name]
Diacétate de (5R,6S,7R,8R)-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]dioxole-5,8-diyle [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: 599.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.3±3.0 kJ/mol
Flash Point: 253.8±30.2 °C
Index of Refraction: 1.573
Molar Refractivity: 130.9±0.4 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 4.57
ACD/LogD (pH 5.5): 3.58
ACD/BCF (pH 5.5): 309.33
ACD/KOC (pH 5.5): 2109.82
ACD/LogD (pH 7.4): 3.58
ACD/BCF (pH 7.4): 309.33
ACD/KOC (pH 7.4): 2109.82
Polar Surface Area: 108 Å2
Polarizability: 51.9±0.5 10-24cm3
Surface Tension: 52.6±5.0 dyne/cm
Molar Volume: 397.4±5.0 cm3

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