ChemSpider 2D Image | (1S,4S,5R,8S,12R,13R,1'S,4'S,5'R,8'S,12'R,13'R)-10,10'-Oxybis(1,5,9-trimethyl-11,14,15-trioxatetracyclo[10.2.1.0~4,13~.0~8,13~]pentadecane) | C30H46O7

(1S,4S,5R,8S,12R,13R,1'S,4'S,5'R,8'S,12'R,13'R)-10,10'-Oxybis(1,5,9-trimethyl-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadecane)

  • Molecular FormulaC30H46O7
  • Average mass518.682 Da
  • Monoisotopic mass518.324341 Da
  • ChemSpider ID348783

  • defined stereocentres - 12 of 16 defined stereocentres

More details:

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

(1S,4S,5R,8S,12R,13R,1'S,4'S,5'R,8'S,12'R,13'R)-10,10'-Oxybis(1,5,9-trimethyl-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadecan) [German] [ACD/IUPAC Name]
(1S,4S,5R,8S,12R,13R,1'S,4'S,5'R,8'S,12'R,13'R)-10,10'-Oxybis(1,5,9-trimethyl-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadecane) [ACD/IUPAC Name]
(1S,4S,5R,8S,12R,13R,1'S,4'S,5'R,8'S,12'R,13'R)-10,10'-Oxybis(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'-oxybis[decahydro-3,6,9-trimethyl-, (3aS,6R,6aS,9S,10aR,10bR,3'aS,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_034171 [DBID]
NSC695583 [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: 576.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.1±3.0 kJ/mol
Flash Point: 219.9±30.0 °C
Index of Refraction: 1.564
Molar Refractivity: 136.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 6.86
ACD/LogD (pH 5.5): 6.54
ACD/BCF (pH 5.5): 54980.79
ACD/KOC (pH 5.5): 86025.00
ACD/LogD (pH 7.4): 6.54
ACD/BCF (pH 7.4): 54980.79
ACD/KOC (pH 7.4): 86025.00
Polar Surface Area: 65 Å2
Polarizability: 54.1±0.5 10-24cm3
Surface Tension: 46.9±5.0 dyne/cm
Molar Volume: 419.9±5.0 cm3

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