ChemSpider 2D Image | (1R,16R)-10,26-Dimethoxy-15,31-dimethyl-7,24,34-trioxa-15,31-diazaoctacyclo[19.10.3.2~3,6~.1~8,12~.1~18,22~.0~16,36~.0~25,33~.0~28,32~]octatriaconta-3,5,8(36),9,11,18(35),19,21,25,27,32,37-dodecaen-9- ol | C37H38N2O6

(1R,16R)-10,26-Dimethoxy-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-9- ol

  • Molecular FormulaC37H38N2O6
  • Average mass606.707 Da
  • Monoisotopic mass606.273010 Da
  • ChemSpider ID8229974

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1R,16R)-10,26-Dimethoxy-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-9- ol [ACD/IUPAC Name]
(1R,16R)-10,26-Dimethoxy-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-9- ol [German] [ACD/IUPAC Name]
(1R,16R)-10,26-Diméthoxy-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-dodécaén-9- ol [French] [ACD/IUPAC Name]
478-62-6 [RN]
Insulanoline

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

Density: 1.3±0.1 g/cm3
Boiling Point: 716.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.4±3.0 kJ/mol
Flash Point: 386.8±32.9 °C
Index of Refraction: 1.626
Molar Refractivity: 171.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 3.86
ACD/LogD (pH 5.5): 0.84
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.66
ACD/LogD (pH 7.4): 3.80
ACD/BCF (pH 7.4): 332.85
ACD/KOC (pH 7.4): 1526.88
Polar Surface Area: 73 Å2
Polarizability: 67.9±0.5 10-24cm3
Surface Tension: 48.3±3.0 dyne/cm
Molar Volume: 483.9±3.0 cm3

Click to predict properties on the Chemicalize site


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