Found 29 results

Search term: MF = 'C_{34}H_{48}O_{12}'
ChemSpider 2D Image | (3aR,5R,5aS,8aS,8bR)-5-({[(2R,3S,4S,5R,6R)-2-(2-Furyl)-3,4,5-tris[(1E)-1-propen-1-yloxy]-6-{[(1E)-1-propen-1-yloxy]methyl}tetrahydro-2H-pyran-2-yl]oxy}methyl)-2,2,7,7-tetramethyltetrahydro-3aH-bis[1,3 ]dioxolo[4,5-b:4',5'-d]pyran | C34H48O12

(3aR,5R,5aS,8aS,8bR)-5-({[(2R,3S,4S,5R,6R)-2-(2-Furyl)-3,4,5-tris[(1E)-1-propen-1-yloxy]-6-{[(1E)-1-propen-1-yloxy]methyl}tetrahydro-2H-pyran-2-yl]oxy}methyl)-2,2,7,7-tetramethyltetrahydro-3aH-bis[1,3 ]dioxolo[4,5-b:4',5'-d]pyran

  • Molecular FormulaC34H48O12
  • Average mass648.738 Da
  • Monoisotopic mass648.314575 Da
  • ChemSpider ID8993287

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(3aR,5R,5aS,8aS,8bR)-5-({[(2R,3S,4S,5R,6R)-2-(2-Furyl)-3,4,5-tris[(1E)-1-propen-1-yloxy]-6-{[(1E)-1-propen-1-yloxy]methyl}tetrahydro-2H-pyran-2-yl]oxy}methyl)-2,2,7,7-tetramethyltetrahydro-3aH-bis[1,3 ]dioxolo[4,5-b:4',5'-d]pyran [ACD/IUPAC Name]
(3aR,5R,5aS,8aS,8bR)-5-({[(2R,3S,4S,5R,6R)-2-(2-Furyl)-3,4,5-tris[(1E)-1-propen-1-yloxy]-6-{[(1E)-1-propen-1-yloxy]methyl}tetrahydro-2H-pyran-2-yl]oxy}methyl)-2,2,7,7-tetramethyltetrahydro-3aH-bis[1,3 ]dioxolo[4,5-b:4',5'-d]pyran [German] [ACD/IUPAC Name]
(3aR,5R,5aS,8aS,8bR)-5-({[(2R,3S,4S,5R,6R)-2-(2-Furyl)-3,4,5-tris[(1E)-1-propén-1-yloxy]-6-{[(1E)-1-propén-1-yloxy]méthyl}tétrahydro-2H-pyran-2-yl]oxy}méthyl)-2,2,7,7-tétraméthyltétrahydro-3aH-bis[1,3 ]dioxolo[4,5-b:4',5'-d]pyrane [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: 713.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 100.5±3.0 kJ/mol
Flash Point: 374.2±21.8 °C
Index of Refraction: 1.548
Molar Refractivity: 168.6±0.4 cm3
#H bond acceptors: 12
#H bond donors: 0
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 8.99
ACD/LogD (pH 5.5): 7.00
ACD/BCF (pH 5.5): 122180.74
ACD/KOC (pH 5.5): 152354.28
ACD/LogD (pH 7.4): 7.00
ACD/BCF (pH 7.4): 122180.74
ACD/KOC (pH 7.4): 152354.28
Polar Surface Area: 115 Å2
Polarizability: 66.8±0.5 10-24cm3
Surface Tension: 46.8±5.0 dyne/cm
Molar Volume: 530.5±5.0 cm3

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