ChemSpider 2D Image | (1R,4S,5R,8S,9R,12R,13R,1'R,4'S,5'R,8'S,9'R,12'R,13'R)-10,10'-(4,6-Dimethoxy-1,3-phenylene)bis(1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.0~4,13~.0~8,13~]hexadecane) | C38H54O10

(1R,4S,5R,8S,9R,12R,13R,1'R,4'S,5'R,8'S,9'R,12'R,13'R)-10,10'-(4,6-Dimethoxy-1,3-phenylene)bis(1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane)

  • Molecular FormulaC38H54O10
  • Average mass670.829 Da
  • Monoisotopic mass670.371704 Da
  • ChemSpider ID9977266

  • defined stereocentres - 14 of 16 defined stereocentres

More details:

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

(1R,4S,5R,8S,9R,12R,13R,1'R,4'S,5'R,8'S,9'R,12'R,13'R)-10,10'-(4,6-Dimethoxy-1,3-phenylen)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,12R,13R,1'R,4'S,5'R,8'S,9'R,12'R,13'R)-10,10'-(4,6-Dimethoxy-1,3-phenylene)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,12R,13R,1'R,4'S,5'R,8'S,9'R,12'R,13'R)-10,10'-(4,6-Diméthoxy-1,3-phénylène)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'-(4,6-dimethoxy-1,3-phenylene)bis[decahydro-3,6,9-trimethyl-, (3R,5aS,6R,8aS,9R,12R,12aR,3'R,5'aS,6'R,8'aS,9'R,12'R,12'aR)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.582
Molar Refractivity: 175.8±0.4 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 3
ACD/LogP: 7.92
ACD/LogD (pH 5.5): 7.22
ACD/BCF (pH 5.5): 181423.17
ACD/KOC (pH 5.5): 202184.78
ACD/LogD (pH 7.4): 7.22
ACD/BCF (pH 7.4): 181423.17
ACD/KOC (pH 7.4): 202184.78
Polar Surface Area: 92 Å2
Polarizability: 69.7±0.5 10-24cm3
Surface Tension: 51.3±5.0 dyne/cm
Molar Volume: 526.4±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement