ChemSpider 2D Image | (9S,10S)-8,8-Dimethyl-2-oxo-9,10-dihydro-2H,8H-pyrano[2,3-f]chromene-9,10-diyl (2E,2'E)bis(2-methyl-2-butenoate) | C24H26O7

(9S,10S)-8,8-Dimethyl-2-oxo-9,10-dihydro-2H,8H-pyrano[2,3-f]chromene-9,10-diyl (2E,2'E)bis(2-methyl-2-butenoate)

  • Molecular FormulaC24H26O7
  • Average mass426.459 Da
  • Monoisotopic mass426.167847 Da
  • ChemSpider ID32076997
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(2E,2'E)Bis(2-méthyl-2-buténoate) de (9S,10S)-8,8-diméthyl-2-oxo-9,10-dihydro-2H,8H-pyrano[2,3-f]chromène-9,10-diyle [French] [ACD/IUPAC Name]
(9S,10S)-8,8-Dimethyl-2-oxo-9,10-dihydro-2H,8H-pyrano[2,3-f]chromen-9,10-diyl-(2E,2'E)bis(2-methyl-2-butenoat) [German] [ACD/IUPAC Name]
(9S,10S)-8,8-Dimethyl-2-oxo-9,10-dihydro-2H,8H-pyrano[2,3-f]chromene-9,10-diyl (2E,2'E)bis(2-methyl-2-butenoate) [ACD/IUPAC Name]
2-Butenoic acid, 2-methyl-, (9S,10S)-9,10-dihydro-8,8-dimethyl-2-oxo-2H,8H-benzo[1,2-b:3,4-b']dipyran-9,10-diyl ester, (2E,2'E)- [ACD/Index Name]
73069-28-0 [RN]
MFCD09839133 [MDL number]
Praeruptorin D

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 524.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.9±3.0 kJ/mol
Flash Point: 225.5±30.2 °C
Index of Refraction: 1.573
Molar Refractivity: 112.5±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.99
ACD/LogD (pH 5.5): 5.03
ACD/BCF (pH 5.5): 3894.79
ACD/KOC (pH 5.5): 12931.90
ACD/LogD (pH 7.4): 5.03
ACD/BCF (pH 7.4): 3894.79
ACD/KOC (pH 7.4): 12931.90
Polar Surface Area: 88 Å2
Polarizability: 44.6±0.5 10-24cm3
Surface Tension: 49.4±5.0 dyne/cm
Molar Volume: 341.3±5.0 cm3

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