ChemSpider 2D Image | (1R,4S,5R,8S,9R,10S,12R,13R,1'R,4'S,5'R,8'S,9'R,10'S,12'R,13'R)-10,10'-[(3S)-1-Butene-3,4-diylbis(oxy)]bis(1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.0~4,13~.0~8,13~]hexadecane) | C34H52O10

(1R,4S,5R,8S,9R,10S,12R,13R,1'R,4'S,5'R,8'S,9'R,10'S,12'R,13'R)-10,10'-[(3S)-1-Butene-3,4-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 ID24659531

  • defined stereocentres - 17 of 17 defined stereocentres

More details:

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

(1R,4S,5R,8S,9R,10S,12R,13R,1'R,4'S,5'R,8'S,9'R,10'S,12'R,13'R)-10,10'-[(3S)-1-Buten-3,4-diylbis(oxy)]bis(1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan) [German] [ACD/IUPAC Name]
(1R,4S,5R,8S,9R,10S,12R,13R,1'R,4'S,5'R,8'S,9'R,10'S,12'R,13'R)-10,10'-[(3S)-1-Butene-3,4-diylbis(oxy)]bis(1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane) [ACD/IUPAC Name]
(1R,4S,5R,8S,9R,10S,12R,13R,1'R,4'S,5'R,8'S,9'R,10'S,12'R,13'R)-10,10'-[(3S)-1-Butène-3,4-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-[[(1S)-1-[[[(3R,5aS,6R,8aS,9R,10S,12R,12aR)-decahydro-3,6,9-trimethyl-3,12-epoxy-12H-pyrano[4,3-j]-1,2-benzodioxepin-10-yl]oxy]methyl]-2-propen-1-yl] oxy]decahydro-3,6,9-trimethyl-, (3R,5aS,6R,8aS,9R,10S,12R,12aR)- [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: 647.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 92.0±3.0 kJ/mol
Flash Point: 239.5±31.4 °C
Index of Refraction: 1.556
Molar Refractivity: 160.1±0.4 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 7.14
ACD/LogD (pH 5.5): 6.26
ACD/BCF (pH 5.5): 33540.68
ACD/KOC (pH 5.5): 60393.22
ACD/LogD (pH 7.4): 6.26
ACD/BCF (pH 7.4): 33540.68
ACD/KOC (pH 7.4): 60393.22
Polar Surface Area: 92 Å2
Polarizability: 63.5±0.5 10-24cm3
Surface Tension: 47.6±5.0 dyne/cm
Molar Volume: 497.8±5.0 cm3

Click to predict properties on the Chemicalize site


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