Found 17 results

Search term: MF = 'C_{24}H_{36}O_{12}'
ChemSpider 2D Image | (1E)-2-{[(2-Methyl-2-propanyl)oxy]methyl}-3-oxo-1-penten-1-yl 2,3,4,6-tetra-O-acetyl-beta-D-glucopyranoside | C24H36O12

(1E)-2-{[(2-Methyl-2-propanyl)oxy]methyl}-3-oxo-1-penten-1-yl 2,3,4,6-tetra-O-acetyl-β-D-glucopyranoside

  • Molecular FormulaC24H36O12
  • Average mass516.535 Da
  • Monoisotopic mass516.220703 Da
  • ChemSpider ID8801053

  • 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

(1E)-2-{[(2-Methyl-2-propanyl)oxy]methyl}-3-oxo-1-penten-1-yl 2,3,4,6-tetra-O-acetyl-β-D-glucopyranoside [ACD/IUPAC Name]
(1E)-2-{[(2-Methyl-2-propanyl)oxy]methyl}-3-oxo-1-penten-1-yl-2,3,4,6-tetra-O-acetyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
1-Penten-3-one, 2-[(1,1-dimethylethoxy)methyl]-1-[(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)oxy]-, (1E)- [ACD/Index Name]
2,3,4,6-Tétra-O-acétyl-β-D-glucopyranoside de (1E)-2-{[(2-méthyl-2-propanyl)oxy]méthyl}-3-oxo-1-pentén-1-yle [French] [ACD/IUPAC 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: 570.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.5±3.0 kJ/mol
Flash Point: 240.0±30.2 °C
Index of Refraction: 1.491
Molar Refractivity: 123.5±0.4 cm3
#H bond acceptors: 12
#H bond donors: 0
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 3.80
ACD/LogD (pH 5.5): 3.21
ACD/BCF (pH 5.5): 162.57
ACD/KOC (pH 5.5): 1331.29
ACD/LogD (pH 7.4): 3.21
ACD/BCF (pH 7.4): 162.57
ACD/KOC (pH 7.4): 1331.29
Polar Surface Area: 150 Å2
Polarizability: 49.0±0.5 10-24cm3
Surface Tension: 44.3±5.0 dyne/cm
Molar Volume: 426.5±5.0 cm3

Click to predict properties on the Chemicalize site


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