ChemSpider 2D Image | (1S)-2,3,4,6-Tetra-O-acetyl-1,5-anhydro-1-{(3E)-4-[4-(benzyloxy)phenyl]-2-oxo-3-buten-1-yl}-D-glucitol | C31H34O11

(1S)-2,3,4,6-Tetra-O-acetyl-1,5-anhydro-1-{(3E)-4-[4-(benzyloxy)phenyl]-2-oxo-3-buten-1-yl}-D-glucitol

  • Molecular FormulaC31H34O11
  • Average mass582.595 Da
  • Monoisotopic mass582.210083 Da
  • ChemSpider ID58912171

  • 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)-2,3,4,6-Tetra-O-acetyl-1,5-anhydro-1-{(3E)-4-[4-(benzyloxy)phenyl]-2-oxo-3-buten-1-yl}-D-glucitol [German] [ACD/IUPAC Name]
(1S)-2,3,4,6-Tetra-O-acetyl-1,5-anhydro-1-{(3E)-4-[4-(benzyloxy)phenyl]-2-oxo-3-buten-1-yl}-D-glucitol [ACD/IUPAC Name]
(1S)-2,3,4,6-Tétra-O-acétyl-1,5-anhydro-1-{(3E)-4-[4-(benzyloxy)phényl]-2-oxo-3-butén-1-yl}-D-glucitol [French] [ACD/IUPAC Name]
D-glycero-D-gulo-Dec-1-en-3-ulose, 5,9-anhydro-1,2,4-trideoxy-1-[4-(phenylmethoxy)phenyl]-, 6,7,8,10-tetraacetate, (1E)- [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: 682.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.1±3.0 kJ/mol
Flash Point: 283.9±31.5 °C
Index of Refraction: 1.564
Molar Refractivity: 148.2±0.4 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 4.79
ACD/LogD (pH 5.5): 4.79
ACD/BCF (pH 5.5): 2573.36
ACD/KOC (pH 5.5): 9612.41
ACD/LogD (pH 7.4): 4.79
ACD/BCF (pH 7.4): 2573.36
ACD/KOC (pH 7.4): 9612.41
Polar Surface Area: 141 Å2
Polarizability: 58.8±0.5 10-24cm3
Surface Tension: 53.5±5.0 dyne/cm
Molar Volume: 455.9±5.0 cm3

Click to predict properties on the Chemicalize site


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