ChemSpider 2D Image | (1R)-1-[(2E)-3-(4-Acetoxyphenyl)-2-propen-1-yl]-2,3,4,6-tetra-O-acetyl-1,5-anhydro-D-galactitol | C25H30O11

(1R)-1-[(2E)-3-(4-Acetoxyphenyl)-2-propen-1-yl]-2,3,4,6-tetra-O-acetyl-1,5-anhydro-D-galactitol

  • Molecular FormulaC25H30O11
  • Average mass506.499 Da
  • Monoisotopic mass506.178802 Da
  • ChemSpider ID9310073

  • 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

(1R)-1-[(2E)-3-(4-Acetoxyphenyl)-2-propen-1-yl]-2,3,4,6-tetra-O-acetyl-1,5-anhydro-D-galactitol [ACD/IUPAC Name]
(1R)-1-[(2E)-3-(4-Acetoxyphenyl)-2-propen-1-yl]-2,3,4,6-tetra-O-acetyl-1,5-anhydro-D-galactitol [German] [ACD/IUPAC Name]
(1R)-1-[(2E)-3-(4-Acétoxyphényl)-2-propén-1-yl]-2,3,4,6-tétra-O-acétyl-1,5-anhydro-D-galactitol [French] [ACD/IUPAC Name]
D-glycero-L-galacto-Non-8-enitol, 9-[4-(acetyloxy)phenyl]-2,6-anhydro-7,8,9-trideoxy-, tetraacetate, (8E)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 575.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.2±3.0 kJ/mol
Flash Point: 243.8±28.8 °C
Index of Refraction: 1.533
Molar Refractivity: 123.5±0.4 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 3.00
ACD/LogD (pH 5.5): 3.41
ACD/BCF (pH 5.5): 230.89
ACD/KOC (pH 5.5): 1711.32
ACD/LogD (pH 7.4): 3.41
ACD/BCF (pH 7.4): 230.89
ACD/KOC (pH 7.4): 1711.32
Polar Surface Area: 141 Å2
Polarizability: 49.0±0.5 10-24cm3
Surface Tension: 50.2±5.0 dyne/cm
Molar Volume: 397.8±5.0 cm3

Click to predict properties on the Chemicalize site


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