Found 29 results

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

(3aR,5R,5aS,8aS,8bR)-2,2,7,7-Tetramethyl-5-({[(2R,3S,4S,5R,6R)-3,4,5-tris(allyloxy)-6-[(allyloxy)methyl]-2-(2-furyl)tetrahydro-2H-pyran-2-yl]oxy}methyl)tetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyr an

  • Molecular FormulaC34H48O12
  • Average mass648.738 Da
  • Monoisotopic mass648.314575 Da
  • ChemSpider ID9977023

  • 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)-2,2,7,7-Tetramethyl-5-({[(2R,3S,4S,5R,6R)-3,4,5-tris(allyloxy)-6-[(allyloxy)methyl]-2-(2-furyl)tetrahydro-2H-pyran-2-yl]oxy}methyl)tetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyr an [ACD/IUPAC Name]
(3aR,5R,5aS,8aS,8bR)-2,2,7,7-Tetramethyl-5-({[(2R,3S,4S,5R,6R)-3,4,5-tris(allyloxy)-6-[(allyloxy)methyl]-2-(2-furyl)tetrahydro-2H-pyran-2-yl]oxy}methyl)tetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyr an [German] [ACD/IUPAC Name]
(3aR,5R,5aS,8aS,8bR)-2,2,7,7-Tétraméthyl-5-({[(2R,3S,4S,5R,6R)-3,4,5-tris(allyloxy)-6-[(allyloxy)méthyl]-2-(2-furyl)tétrahydro-2H-pyran-2-yl]oxy}méthyl)tétrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyr ane [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: 683.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.7±3.0 kJ/mol
Flash Point: 360.2±20.5 °C
Index of Refraction: 1.537
Molar Refractivity: 168.0±0.4 cm3
#H bond acceptors: 12
#H bond donors: 0
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: 9.70
ACD/LogD (pH 5.5): 7.98
ACD/BCF (pH 5.5): 678498.94
ACD/KOC (pH 5.5): 519748.38
ACD/LogD (pH 7.4): 7.98
ACD/BCF (pH 7.4): 678498.94
ACD/KOC (pH 7.4): 519748.38
Polar Surface Area: 115 Å2
Polarizability: 66.6±0.5 10-24cm3
Surface Tension: 44.9±5.0 dyne/cm
Molar Volume: 538.3±5.0 cm3

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