Found 9 results

Search term: MF = 'C_{33}H_{46}O_{14}'
ChemSpider 2D Image | (2E,2'E)-1,1'-[(4R,5R)-2,2-Dimethyl-1,3-dioxolane-4,5-diyl]bis{3-[(3aR,5R,5aS,8aS,8bR)-2,2,7,7-tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-yl]-2-propen-1-one} | C33H46O14

(2E,2'E)-1,1'-[(4R,5R)-2,2-Dimethyl-1,3-dioxolane-4,5-diyl]bis{3-[(3aR,5R,5aS,8aS,8bR)-2,2,7,7-tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-yl]-2-propen-1-one}

  • Molecular FormulaC33H46O14
  • Average mass666.710 Da
  • Monoisotopic mass666.288757 Da
  • ChemSpider ID8637484

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(2E,2'E)-1,1'-[(4R,5R)-2,2-Dimethyl-1,3-dioxolan-4,5-diyl]bis{3-[(3aR,5R,5aS,8aS,8bR)-2,2,7,7-tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-yl]-2-propen-1-on} [German] [ACD/IUPAC Name]
(2E,2'E)-1,1'-[(4R,5R)-2,2-Dimethyl-1,3-dioxolane-4,5-diyl]bis{3-[(3aR,5R,5aS,8aS,8bR)-2,2,7,7-tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-yl]-2-propen-1-one} [ACD/IUPAC Name]
(2E,2'E)-1,1'-[(4R,5R)-2,2-Diméthyl-1,3-dioxolane-4,5-diyl]bis{3-[(3aR,5R,5aS,8aS,8bR)-2,2,7,7-tétraméthyltétrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-yl]-2-propén-1-one} [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: 730.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.7±3.0 kJ/mol
Flash Point: 300.4±32.9 °C
Index of Refraction: 1.525
Molar Refractivity: 163.8±0.3 cm3
#H bond acceptors: 14
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 7.43
ACD/LogD (pH 5.5): 5.49
ACD/BCF (pH 5.5): 8808.49
ACD/KOC (pH 5.5): 23192.67
ACD/LogD (pH 7.4): 5.49
ACD/BCF (pH 7.4): 8808.49
ACD/KOC (pH 7.4): 23192.67
Polar Surface Area: 145 Å2
Polarizability: 64.9±0.5 10-24cm3
Surface Tension: 38.7±3.0 dyne/cm
Molar Volume: 534.3±3.0 cm3

Click to predict properties on the Chemicalize site


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