Found 39 results

Search term: MF = 'C_{34}H_{36}O_{4}'
ChemSpider 2D Image | (2S,3S,4R,4aR,6R,9aR)-2-Allyl-3,4-bis(benzyloxy)-6-(2-phenylethyl)-7,8-didehydro-3,4,4a,6,9,9a-hexahydro-2H-pyrano[3,2-b]oxepine | C34H36O4

(2S,3S,4R,4aR,6R,9aR)-2-Allyl-3,4-bis(benzyloxy)-6-(2-phenylethyl)-7,8-didehydro-3,4,4a,6,9,9a-hexahydro-2H-pyrano[3,2-b]oxepine

  • Molecular FormulaC34H36O4
  • Average mass508.647 Da
  • Monoisotopic mass508.261353 Da
  • ChemSpider ID9666079

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(2S,3S,4R,4aR,6R,9aR)-2-Allyl-3,4-bis(benzyloxy)-6-(2-phenylethyl)-7,8-didehydro-3,4,4a,6,9,9a-hexahydro-2H-pyrano[3,2-b]oxepin [German] [ACD/IUPAC Name]
(2S,3S,4R,4aR,6R,9aR)-2-Allyl-3,4-bis(benzyloxy)-6-(2-phenylethyl)-7,8-didehydro-3,4,4a,6,9,9a-hexahydro-2H-pyrano[3,2-b]oxepine [ACD/IUPAC Name]
(2S,3S,4R,4aR,6R,9aR)-2-Allyl-3,4-bis(benzyloxy)-6-(2-phényléthyl)-7,8-didéhydro-3,4,4a,6,9,9a-hexahydro-2H-pyrano[3,2-b]oxépine [French] [ACD/IUPAC Name]
D-glycero-D-gluco-Undec-7-ynitol, 1,5:4,9-dianhydro-6,7,8,10,11-pentadeoxy-11-phenyl-2,3-bis-O-(phenylmethyl)-1-C-2-propen-1-yl-, (1S)- [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: 627.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 89.5±3.0 kJ/mol
Flash Point: 113.3±38.3 °C
Index of Refraction: 1.605
Molar Refractivity: 150.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 8.69
ACD/LogD (pH 5.5): 7.84
ACD/BCF (pH 5.5): 534458.94
ACD/KOC (pH 5.5): 438139.63
ACD/LogD (pH 7.4): 7.84
ACD/BCF (pH 7.4): 534458.94
ACD/KOC (pH 7.4): 438139.63
Polar Surface Area: 37 Å2
Polarizability: 59.8±0.5 10-24cm3
Surface Tension: 50.8±5.0 dyne/cm
Molar Volume: 437.9±5.0 cm3

Click to predict properties on the Chemicalize site


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