ChemSpider 2D Image | Insularine | C38H40N2O6

Insularine

  • Molecular FormulaC38H40N2O6
  • Average mass620.734 Da
  • Monoisotopic mass620.288635 Da
  • ChemSpider ID8524385
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(1R,16R)-9,10,26-Trimethoxy-15,31-dimethyl-7,24,34-trioxa-15,31-diazaoctacyclo[19.10.3.23,6.18,12.118,22.016,36.025,33.028,32]octatriaconta-3,5,8(36),9,11,18(35),19,21,25,27,32,37-dodecaen [German] [ACD/IUPAC Name]
(1R,16R)-9,10,26-Trimethoxy-15,31-dimethyl-7,24,34-trioxa-15,31-diazaoctacyclo[19.10.3.23,6.18,12.118,22.016,36.025,33.028,32]octatriaconta-3,5,8(36),9,11,18(35),19,21,25,27,32,37-dodecaen e [ACD/IUPAC Name]
(1R,16R)-9,10,26-Triméthoxy-15,31-diméthyl-7,24,34-trioxa-15,31-diazaoctacyclo[19.10.3.23,6.18,12.118,22.016,36.025,33.028,32]octatriaconta-3,5,8(36),9,11,18(35),19,21,25,27,32,37-dodécaèn e [French] [ACD/IUPAC Name]
549-07-5 [RN]
Insularine

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

60I96OKL0W [DBID]
UNII:60I96OKL0W [DBID]
UNII-60I96OKL0W [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 716.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.7±3.0 kJ/mol
Flash Point: 179.7±30.1 °C
Index of Refraction: 1.607
Molar Refractivity: 176.0±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 3.63
ACD/LogD (pH 5.5): 1.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.60
ACD/LogD (pH 7.4): 3.99
ACD/BCF (pH 7.4): 485.92
ACD/KOC (pH 7.4): 2145.37
Polar Surface Area: 62 Å2
Polarizability: 69.8±0.5 10-24cm3
Surface Tension: 44.9±3.0 dyne/cm
Molar Volume: 509.5±3.0 cm3

Click to predict properties on the Chemicalize site






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