Found 44 results

Search term: C36H54O12 (Found by molecular formula)
ChemSpider 2D Image | (2E)-3-[3-Methoxy-4-(tetrahydro-2H-pyran-2-yloxy)phenyl]-2-propen-1-yl 3,4,6-tris-O-(2,2-dimethylpropanoyl)-beta-D-glucopyranoside | C36H54O12

(2E)-3-[3-Methoxy-4-(tetrahydro-2H-pyran-2-yloxy)phenyl]-2-propen-1-yl 3,4,6-tris-O-(2,2-dimethylpropanoyl)-β-D-glucopyranoside

  • Molecular FormulaC36H54O12
  • Average mass678.807 Da
  • Monoisotopic mass678.361511 Da
  • ChemSpider ID9258090

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 6 defined stereocentres

More details:

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

(2E)-3-[3-Methoxy-4-(tetrahydro-2H-pyran-2-yloxy)phenyl]-2-propen-1-yl 3,4,6-tris-O-(2,2-dimethylpropanoyl)-β-D-glucopyranoside [ACD/IUPAC Name]
(2E)-3-[3-Methoxy-4-(tetrahydro-2H-pyran-2-yloxy)phenyl]-2-propen-1-yl-3,4,6-tris-O-(2,2-dimethylpropanoyl)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
3,4,6-Tris-O-(2,2-diméthylpropanoyl)-β-D-glucopyranoside de (2E)-3-[3-méthoxy-4-(tétrahydro-2H-pyran-2-yloxy)phényl]-2-propén-1-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (2E)-3-[3-methoxy-4-[(tetrahydro-2H-pyran-2-yl)oxy]phenyl]-2-propen-1-yl, 3,4,6-tris(2,2-dimethylpropanoate) [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 730.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.9±3.0 kJ/mol
Flash Point: 215.7±26.4 °C
Index of Refraction: 1.531
Molar Refractivity: 177.2±0.4 cm3
#H bond acceptors: 12
#H bond donors: 1
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: 6.08
ACD/LogD (pH 5.5): 5.76
ACD/BCF (pH 5.5): 14101.31
ACD/KOC (pH 5.5): 32480.91
ACD/LogD (pH 7.4): 5.76
ACD/BCF (pH 7.4): 14101.00
ACD/KOC (pH 7.4): 32480.19
Polar Surface Area: 145 Å2
Polarizability: 70.2±0.5 10-24cm3
Surface Tension: 47.5±5.0 dyne/cm
Molar Volume: 572.4±5.0 cm3

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