ChemSpider 2D Image | (5S,13S)-5,13-Di(adamantan-1-yl)-19,21-dimethoxy-3,6,9,12,15-pentaoxabicyclo[15.3.1]henicosa-1(21),17,19-triene | C38H56O7

(5S,13S)-5,13-Di(adamantan-1-yl)-19,21-dimethoxy-3,6,9,12,15-pentaoxabicyclo[15.3.1]henicosa-1(21),17,19-triene

  • Molecular FormulaC38H56O7
  • Average mass624.847 Da
  • Monoisotopic mass624.402588 Da
  • ChemSpider ID8731302

  • defined stereocentres - 2 of 10 defined stereocentres

More details:

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

(5S,13S)-5,13-Di(adamantan-1-yl)-19,21-dimethoxy-3,6,9,12,15-pentaoxabicyclo[15.3.1]henicosa-1(21),17,19-trien [German] [ACD/IUPAC Name]
(5S,13S)-5,13-Di(adamantan-1-yl)-19,21-dimethoxy-3,6,9,12,15-pentaoxabicyclo[15.3.1]henicosa-1(21),17,19-triene [ACD/IUPAC Name]
(5S,13S)-5,13-Di(adamantan-1-yl)-19,21-diméthoxy-3,6,9,12,15-pentaoxabicyclo[15.3.1]hénicosa-1(21),17,19-triène [French] [ACD/IUPAC Name]
3,6,9,12,15-Pentaoxabicyclo[15.3.1]heneicosa-1(21),17,19-triene, 19,21-dimethoxy-5,13-ditricyclo[3.3.1.13,7]dec-1-yl-, (5S,13S)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.539
Molar Refractivity: 172.4±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 8.04
ACD/LogD (pH 5.5): 7.52
ACD/BCF (pH 5.5): 307151.66
ACD/KOC (pH 5.5): 294727.66
ACD/LogD (pH 7.4): 7.52
ACD/BCF (pH 7.4): 307151.66
ACD/KOC (pH 7.4): 294727.66
Polar Surface Area: 65 Å2
Polarizability: 68.4±0.5 10-24cm3
Surface Tension: 44.9±3.0 dyne/cm
Molar Volume: 550.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement