ChemSpider 2D Image | (1R)-2,3,4,6-Tetra-O-acetyl-1,5-anhydro-1-[(2Z)-2-(methoxycarbonyl)-3-phenyl-2-propen-1-yl]-D-galactitol | C25H30O11

(1R)-2,3,4,6-Tetra-O-acetyl-1,5-anhydro-1-[(2Z)-2-(methoxycarbonyl)-3-phenyl-2-propen-1-yl]-D-galactitol

  • Molecular FormulaC25H30O11
  • Average mass506.499 Da
  • Monoisotopic mass506.178802 Da
  • ChemSpider ID9224594

  • 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)-2,3,4,6-Tetra-O-acetyl-1,5-anhydro-1-[(2Z)-2-(methoxycarbonyl)-3-phenyl-2-propen-1-yl]-D-galactitol [ACD/IUPAC Name]
(1R)-2,3,4,6-Tetra-O-acetyl-1,5-anhydro-1-[(2Z)-2-(methoxycarbonyl)-3-phenyl-2-propen-1-yl]-D-galactitol [German] [ACD/IUPAC Name]
(1R)-2,3,4,6-Tétra-O-acétyl-1,5-anhydro-1-[(2Z)-2-(méthoxycarbonyl)-3-phényl-2-propén-1-yl]-D-galactitol [French] [ACD/IUPAC Name]
D-glycero-L-gluco-Nononic acid, 4,8-anhydro-2,3-dideoxy-2-(phenylmethylene)-, methyl ester, tetraacetate [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: 572.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.8±3.0 kJ/mol
Flash Point: 242.6±28.8 °C
Index of Refraction: 1.532
Molar Refractivity: 123.3±0.4 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 3.54
ACD/LogD (pH 5.5): 3.58
ACD/BCF (pH 5.5): 311.81
ACD/KOC (pH 5.5): 2121.91
ACD/LogD (pH 7.4): 3.58
ACD/BCF (pH 7.4): 311.81
ACD/KOC (pH 7.4): 2121.91
Polar Surface Area: 141 Å2
Polarizability: 48.9±0.5 10-24cm3
Surface Tension: 49.7±5.0 dyne/cm
Molar Volume: 398.1±5.0 cm3

Click to predict properties on the Chemicalize site


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