ChemSpider 2D Image | 1-O-{(2E,4E,6E,8E)-3,7-Dimethyl-9-[(1R,6R)-2,2,6-trimethyl-7-oxabicyclo[4.1.0]hept-1-yl]-2,4,6,8-nonatetraenoyl}-alpha-L-talopyranuronic acid | C26H36O9

1-O-{(2E,4E,6E,8E)-3,7-Dimethyl-9-[(1R,6R)-2,2,6-trimethyl-7-oxabicyclo[4.1.0]hept-1-yl]-2,4,6,8-nonatetraenoyl}-α-L-talopyranuronic acid

  • Molecular FormulaC26H36O9
  • Average mass492.559 Da
  • Monoisotopic mass492.235931 Da
  • ChemSpider ID30778543

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 7 defined stereocentres

More details:

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

1-O-{(2E,4E,6E,8E)-3,7-Dimethyl-9-[(1R,6R)-2,2,6-trimethyl-7-oxabicyclo[4.1.0]hept-1-yl]-2,4,6,8-nonatetraenoyl}-α-L-talopyranuronic acid [ACD/IUPAC Name]
1-O-{(2E,4E,6E,8E)-3,7-Dimethyl-9-[(1R,6R)-2,2,6-trimethyl-7-oxabicyclo[4.1.0]hept-1-yl]-2,4,6,8-nonatetraenoyl}-α-L-talopyranuronsäure [German] [ACD/IUPAC Name]
Acide 1-O-{(2E,4E,6E,8E)-3,7-diméthyl-9-[(1R,6R)-2,2,6-triméthyl-7-oxabicyclo[4.1.0]hept-1-yl]-2,4,6,8-nonatetraenoyl}-α-L-talopyranuronique [French] [ACD/IUPAC Name]
α-L-Talopyranuronic acid, 1-O-[(2E,4E,6E,8E)-3,7-dimethyl-1-oxo-9-[(1R,6R)-2,2,6-trimethyl-7-oxabicyclo[4.1.0]hept-1-yl]-2,4,6,8-nonatetraen-1-yl]- [ACD/Index Name]
(2R,3S,4R,5R,6S)-6-{[(2E,4E,6E,8E)-3,7-dimethyl-9-[(1R,6R)-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]nona-2,4,6,8-tetraenoyl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
rac-5,6-Epoxy-retinoyl-β-D-glucuronide

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

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

Density: 1.3±0.1 g/cm3
Boiling Point: 663.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.6 mmHg at 25°C
Enthalpy of Vaporization: 111.7±6.0 kJ/mol
Flash Point: 217.6±25.0 °C
Index of Refraction: 1.590
Molar Refractivity: 127.0±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.01
ACD/LogD (pH 5.5): 0.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.34
ACD/LogD (pH 7.4): -0.60
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 146 Å2
Polarizability: 50.3±0.5 10-24cm3
Surface Tension: 59.2±5.0 dyne/cm
Molar Volume: 376.5±5.0 cm3

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