ChemSpider 2D Image | (3aS)-5,6,7,9,11-Pentamethoxy-10-[(4-nitrobenzyl)oxy]-3a,4-dihydrodibenzo[4,5:6,7]cycloocta[1,2-c]furan-1(3H)-one | C30H29NO10

(3aS)-5,6,7,9,11-Pentamethoxy-10-[(4-nitrobenzyl)oxy]-3a,4-dihydrodibenzo[4,5:6,7]cycloocta[1,2-c]furan-1(3H)-one

  • Molecular FormulaC30H29NO10
  • Average mass563.552 Da
  • Monoisotopic mass563.179138 Da
  • ChemSpider ID8005085

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3aS)-5,6,7,9,11-Pentamethoxy-10-[(4-nitrobenzyl)oxy]-3a,4-dihydrodibenzo[4,5:6,7]cycloocta[1,2-c]furan-1(3H)-on [German] [ACD/IUPAC Name]
(3aS)-5,6,7,9,11-Pentamethoxy-10-[(4-nitrobenzyl)oxy]-3a,4-dihydrodibenzo[4,5:6,7]cycloocta[1,2-c]furan-1(3H)-one [ACD/IUPAC Name]
(3aS)-5,6,7,9,11-Pentaméthoxy-10-[(4-nitrobenzyl)oxy]-3a,4-dihydrodibenzo[4,5:6,7]cycloocta[1,2-c]furan-1(3H)-one [French] [ACD/IUPAC Name]
Dibenzo[4,5:6,7]cycloocta[1,2-c]furan-1(3H)-one, 3a,4-dihydro-5,6,7,9,11-pentamethoxy-10-[(4-nitrophenyl)methoxy]-, (3aS)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 779.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 113.4±3.0 kJ/mol
Flash Point: 292.9±34.9 °C
Index of Refraction: 1.635
Molar Refractivity: 145.6±0.4 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 4.23
ACD/LogD (pH 5.5): 3.81
ACD/BCF (pH 5.5): 462.42
ACD/KOC (pH 5.5): 2813.44
ACD/LogD (pH 7.4): 3.81
ACD/BCF (pH 7.4): 462.42
ACD/KOC (pH 7.4): 2813.44
Polar Surface Area: 128 Å2
Polarizability: 57.7±0.5 10-24cm3
Surface Tension: 62.8±5.0 dyne/cm
Molar Volume: 406.8±5.0 cm3

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