Found 90 results

Search term: MF = 'C_{32}H_{50}O_{8}'
ChemSpider 2D Image | (1S,4S,5R,9R,12R,13R,1'S,4'S,5'R,9'R,12'R,13'R)-10,10'-[1,2-Ethanediylbis(oxy)]bis(1,5,9-trimethyl-11,14,15-trioxatetracyclo[10.2.1.0~4,13~.0~8,13~]pentadecane) | C32H50O8

(1S,4S,5R,9R,12R,13R,1'S,4'S,5'R,9'R,12'R,13'R)-10,10'-[1,2-Ethanediylbis(oxy)]bis(1,5,9-trimethyl-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadecane)

  • Molecular FormulaC32H50O8
  • Average mass562.735 Da
  • Monoisotopic mass562.350586 Da
  • ChemSpider ID5144696

  • defined stereocentres - 12 of 16 defined stereocentres

More details:

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

(1S,4S,5R,9R,12R,13R,1'S,4'S,5'R,9'R,12'R,13'R)-10,10'-[1,2-Ethandiylbis(oxy)]bis(1,5,9-trimethyl-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadecan) [German] [ACD/IUPAC Name]
(1S,4S,5R,9R,12R,13R,1'S,4'S,5'R,9'R,12'R,13'R)-10,10'-[1,2-Ethanediylbis(oxy)]bis(1,5,9-trimethyl-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadecane) [ACD/IUPAC Name]
(1S,4S,5R,9R,12R,13R,1'S,4'S,5'R,9'R,12'R,13'R)-10,10'-[1,2-Éthanediylbis(oxy)]bis(1,5,9-triméthyl-11,14,15-trioxatétracyclo[10.2.1.04,13.08,13]pentadécane) [French] [ACD/IUPAC Name]
10aH-9,10b-Epoxypyrano[4,3,2-jk][2]benzoxepin, 2,2'-[1,2-ethanediylbis(oxy)]bis[decahydro-3,6,9-trimethyl-, (3R,6R,6aS,9S,10aR,10bR,3'R,6'R,6'aS,9'S,10'aR,10'bR)- [ACD/Index Name]

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

NCI60_037113 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 615.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.0±3.0 kJ/mol
Flash Point: 231.6±31.4 °C
Index of Refraction: 1.558
Molar Refractivity: 147.6±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 6.54
ACD/LogD (pH 5.5): 6.32
ACD/BCF (pH 5.5): 37476.38
ACD/KOC (pH 5.5): 65385.17
ACD/LogD (pH 7.4): 6.32
ACD/BCF (pH 7.4): 37476.38
ACD/KOC (pH 7.4): 65385.17
Polar Surface Area: 74 Å2
Polarizability: 58.5±0.5 10-24cm3
Surface Tension: 47.1±5.0 dyne/cm
Molar Volume: 458.0±5.0 cm3

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