ChemSpider 2D Image | (4S,5R,8S,9R,12R,13R,4'S,5'R,8'S,9'R,12'R,13'R)-10,10'-[(2E)-2-Butene-1,4-diylbis(oxy)]bis(1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.0~4,13~.0~8,13~]hexadecane) | C34H52O10

(4S,5R,8S,9R,12R,13R,4'S,5'R,8'S,9'R,12'R,13'R)-10,10'-[(2E)-2-Butene-1,4-diylbis(oxy)]bis(1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane)

  • Molecular FormulaC34H52O10
  • Average mass620.771 Da
  • Monoisotopic mass620.356018 Da
  • ChemSpider ID4582991

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 12 of 16 defined stereocentres

More details:

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

(4S,5R,8S,9R,12R,13R,4'S,5'R,8'S,9'R,12'R,13'R)-10,10'-[(2E)-2-Buten-1,4-diylbis(oxy)]bis(1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan) [German] [ACD/IUPAC Name]
(4S,5R,8S,9R,12R,13R,4'S,5'R,8'S,9'R,12'R,13'R)-10,10'-[(2E)-2-Butene-1,4-diylbis(oxy)]bis(1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane) [ACD/IUPAC Name]
(4S,5R,8S,9R,12R,13R,4'S,5'R,8'S,9'R,12'R,13'R)-10,10'-[(2E)-2-Butène-1,4-diylbis(oxy)]bis(1,5,9-triméthyl-11,14,15,16-tétraoxatétracyclo[10.3.1.04,13.08,13]hexadécane) [French] [ACD/IUPAC Name]
3,12-Epoxy-12H-pyrano[4,3-j]-1,2-benzodioxepin, 10,10'-[(2E)-2-butene-1,4-diylbis(oxy)]bis[decahydro-3,6,9-trimethyl-, (5aS,6R,8aS,9R,12R,12aR,5'aS,6'R,8'aS,9'R,12'R,12'aR)- [ACD/Index Name]

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

NSC724782 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 658.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.4±3.0 kJ/mol
Flash Point: 244.2±31.4 °C
Index of Refraction: 1.560
Molar Refractivity: 160.2±0.4 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 6.91
ACD/LogD (pH 5.5): 6.16
ACD/BCF (pH 5.5): 28031.12
ACD/KOC (pH 5.5): 53113.62
ACD/LogD (pH 7.4): 6.16
ACD/BCF (pH 7.4): 28031.12
ACD/KOC (pH 7.4): 53113.62
Polar Surface Area: 92 Å2
Polarizability: 63.5±0.5 10-24cm3
Surface Tension: 48.7±5.0 dyne/cm
Molar Volume: 495.2±5.0 cm3

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