ChemSpider 2D Image | (1S)-2,3,4,6-Tetra-O-acetyl-1,5-anhydro-1-(1-{4-[(1E)-3-methoxy-3-oxo-1-propen-1-yl]benzyl}-6-isoquinolinyl)-D-glucitol | C34H35NO11

(1S)-2,3,4,6-Tetra-O-acetyl-1,5-anhydro-1-(1-{4-[(1E)-3-methoxy-3-oxo-1-propen-1-yl]benzyl}-6-isoquinolinyl)-D-glucitol

  • Molecular FormulaC34H35NO11
  • Average mass633.642 Da
  • Monoisotopic mass633.221008 Da
  • ChemSpider ID8659590

  • 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-(1-{4-[(1E)-3-methoxy-3-oxo-1-propen-1-yl]benzyl}-6-isochinolinyl)-D-glucitol [German] [ACD/IUPAC Name]
(1S)-2,3,4,6-Tétra-O-acétyl-1,5-anhydro-1-(1-{4-[(1E)-3-méthoxy-3-oxo-1-propén-1-yl]benzyl}-6-isoquinoléinyl)-D-glucitol [French] [ACD/IUPAC Name]
(1S)-2,3,4,6-Tetra-O-acetyl-1,5-anhydro-1-(1-{4-[(1E)-3-methoxy-3-oxo-1-propen-1-yl]benzyl}-6-isoquinolinyl)-D-glucitol [ACD/IUPAC Name]
D-Glucitol, 1,5-anhydro-1-C-[1-[[4-[(1E)-3-methoxy-3-oxo-1-propen-1-yl]phenyl]methyl]-6-isoquinolinyl]-, 2,3,4,6-tetraacetate, (1S)- [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: 722.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.6±3.0 kJ/mol
Flash Point: 390.9±32.9 °C
Index of Refraction: 1.596
Molar Refractivity: 163.6±0.4 cm3
#H bond acceptors: 12
#H bond donors: 0
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 4.75
ACD/LogD (pH 5.5): 4.45
ACD/BCF (pH 5.5): 1166.20
ACD/KOC (pH 5.5): 4366.42
ACD/LogD (pH 7.4): 4.78
ACD/BCF (pH 7.4): 2514.36
ACD/KOC (pH 7.4): 9414.18
Polar Surface Area: 154 Å2
Polarizability: 64.8±0.5 10-24cm3
Surface Tension: 58.8±5.0 dyne/cm
Molar Volume: 480.8±5.0 cm3

Click to predict properties on the Chemicalize site


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