ChemSpider 2D Image | (2R,3S,3aS,3bR,4Z,6aS,7aR)-4-[(3,3-Dimethylcyclohexyl)methylene]-5-oxooctahydrodifuro[2,3-b:3',2'-d]furan-2,3-diyl diacetate | C21H28O8

(2R,3S,3aS,3bR,4Z,6aS,7aR)-4-[(3,3-Dimethylcyclohexyl)methylene]-5-oxooctahydrodifuro[2,3-b:3',2'-d]furan-2,3-diyl diacetate

  • Molecular FormulaC21H28O8
  • Average mass408.442 Da
  • Monoisotopic mass408.178406 Da
  • ChemSpider ID24654575

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 7 defined stereocentres

More details:

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

(2R,3S,3aS,3bR,4Z,6aS,7aR)-4-[(3,3-Dimethylcyclohexyl)methylen]-5-oxooctahydrodifuro[2,3-b:3',2'-d]furan-2,3-diyl-diacetat [German] [ACD/IUPAC Name]
(2R,3S,3aS,3bR,4Z,6aS,7aR)-4-[(3,3-Dimethylcyclohexyl)methylene]-5-oxooctahydrodifuro[2,3-b:3',2'-d]furan-2,3-diyl diacetate [ACD/IUPAC Name]
Diacétate de (2R,3S,3aS,3bR,4Z,6aS,7aR)-4-[(3,3-diméthylcyclohexyl)méthylène]-5-oxooctahydrodifuro[2,3-b:3',2'-d]furane-2,3-diyle [French] [ACD/IUPAC Name]
Difuro[2,3-b:3',2'-d]furan-2(3H)-one, 4,5-bis(acetyloxy)-3-[(3,3-dimethylcyclohexyl)methylene]hexahydro-, (3Z,3aR,3bS,4S,5R,6aR,7aS)- [ACD/Index Name]
gracilin K

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

Density: 1.3±0.1 g/cm3
Boiling Point: 536.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.4±3.0 kJ/mol
Flash Point: 233.3±30.2 °C
Index of Refraction: 1.541
Molar Refractivity: 99.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.68
ACD/LogD (pH 5.5): 3.39
ACD/BCF (pH 5.5): 222.22
ACD/KOC (pH 5.5): 1665.07
ACD/LogD (pH 7.4): 3.39
ACD/BCF (pH 7.4): 222.22
ACD/KOC (pH 7.4): 1665.07
Polar Surface Area: 97 Å2
Polarizability: 39.5±0.5 10-24cm3
Surface Tension: 48.2±5.0 dyne/cm
Molar Volume: 317.5±5.0 cm3

Click to predict properties on the Chemicalize site


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