ChemSpider 2D Image | (1S)-1,5-Anhydro-1-[(2E)-4-methoxy-4-oxo-2-buten-1-yl]-D-galactitol | C11H18O7

(1S)-1,5-Anhydro-1-[(2E)-4-methoxy-4-oxo-2-buten-1-yl]-D-galactitol

  • Molecular FormulaC11H18O7
  • Average mass262.256 Da
  • Monoisotopic mass262.105255 Da
  • ChemSpider ID24687390
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres


More details:






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

(1S)-1,5-Anhydro-1-[(2E)-4-methoxy-4-oxo-2-buten-1-yl]-D-galactitol [German] [ACD/IUPAC Name]
(1S)-1,5-Anhydro-1-[(2E)-4-methoxy-4-oxo-2-buten-1-yl]-D-galactitol [ACD/IUPAC Name]
(1S)-1,5-Anhydro-1-[(2E)-4-méthoxy-4-oxo-2-butén-1-yl]-D-galactitol [French] [ACD/IUPAC Name]
D-glycero-L-manno-Dec-2-enonic acid, 5,9-anhydro-2,3,4-trideoxy-, methyl ester, (2E)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 458.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 82.9±6.0 kJ/mol
Flash Point: 175.8±22.2 °C
Index of Refraction: 1.548
Molar Refractivity: 60.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.41
ACD/LogD (pH 5.5): -1.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.62
ACD/LogD (pH 7.4): -1.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.62
Polar Surface Area: 116 Å2
Polarizability: 24.1±0.5 10-24cm3
Surface Tension: 55.3±3.0 dyne/cm
Molar Volume: 191.2±3.0 cm3

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