ChemSpider 2D Image | ustusolate D | C23H32O7

ustusolate D

  • Molecular FormulaC23H32O7
  • Average mass420.496 Da
  • Monoisotopic mass420.214813 Da
  • ChemSpider ID24672713

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2E,4E)-6,6-Diméthoxy-2,4-hexadiénoate de (5R,5aS,9aS,9bS)-9b-hydroxy-6,6,9a-triméthyl-1-oxo-1,3,5,5a,6,7,8,9,9a,9b-décahydronaphto[1,2-c]furan-5-yle [French] [ACD/IUPAC Name]
(5R,5aS,9aS,9bS)-9b-Hydroxy-6,6,9a-trimethyl-1-oxo-1,3,5,5a,6,7,8,9,9a,9b-decahydronaphtho[1,2-c]furan-5-yl (2E,4E)-6,6-dimethoxy-2,4-hexadienoate [ACD/IUPAC Name]
(5R,5aS,9aS,9bS)-9b-Hydroxy-6,6,9a-trimethyl-1-oxo-1,3,5,5a,6,7,8,9,9a,9b-decahydronaphtho[1,2-c]furan-5-yl-(2E,4E)-6,6-dimethoxy-2,4-hexadienoat [German] [ACD/IUPAC Name]
2,4-Hexadienoic acid, 6,6-dimethoxy-, (5R,5aS,9aS,9bS)-1,3,5,5a,6,7,8,9,9a,9b-decahydro-9b-hydroxy-6,6,9a-trimethyl-1-oxonaphtho[1,2-c]furan-5-yl ester, (2E,4E)- [ACD/Index Name]
ustusolate D

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

Density: 1.2±0.1 g/cm3
Boiling Point: 564.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 97.5±6.0 kJ/mol
Flash Point: 188.9±23.6 °C
Index of Refraction: 1.548
Molar Refractivity: 110.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.10
ACD/LogD (pH 5.5): 3.17
ACD/BCF (pH 5.5): 151.00
ACD/KOC (pH 5.5): 1262.77
ACD/LogD (pH 7.4): 3.17
ACD/BCF (pH 7.4): 151.00
ACD/KOC (pH 7.4): 1262.74
Polar Surface Area: 91 Å2
Polarizability: 43.8±0.5 10-24cm3
Surface Tension: 47.5±5.0 dyne/cm
Molar Volume: 348.0±5.0 cm3

Click to predict properties on the Chemicalize site


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