ChemSpider 2D Image | (2Z,6Z)-13,16,19,22-Tetraoxa-3,6-diazatricyclo[21.3.1.1~8,12~]octacosa-1(27),2,6,8(28),9,11,23,25-octaene-27,28-diol | C22H26N2O6

(2Z,6Z)-13,16,19,22-Tetraoxa-3,6-diazatricyclo[21.3.1.18,12]octacosa-1(27),2,6,8(28),9,11,23,25-octaene-27,28-diol

  • Molecular FormulaC22H26N2O6
  • Average mass414.452 Da
  • Monoisotopic mass414.179077 Da
  • ChemSpider ID30654505

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z,6Z)-13,16,19,22-Tetraoxa-3,6-diazatricyclo[21.3.1.18,12]octacosa-1(27),2,6,8(28),9,11,23,25-octaen-27,28-diol [German] [ACD/IUPAC Name]
(2Z,6Z)-13,16,19,22-Tetraoxa-3,6-diazatricyclo[21.3.1.18,12]octacosa-1(27),2,6,8(28),9,11,23,25-octaene-27,28-diol [ACD/IUPAC Name]
(2Z,6Z)-13,16,19,22-Tétraoxa-3,6-diazatricyclo[21.3.1.18,12]octacosa-1(27),2,6,8(28),9,11,23,25-octaène-27,28-diol [French] [ACD/IUPAC Name]
13,16,19,22-Tetraoxa-3,6-diazatricyclo[21.3.1.18,12]octacosa-1(27),2,6,8,10,12(28),23,25-octaene-27,28-diol, (2Z,6Z)- [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: 616.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.8±3.0 kJ/mol
Flash Point: 326.9±31.5 °C
Index of Refraction: 1.577
Molar Refractivity: 109.7±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.16
ACD/LogD (pH 5.5): 0.68
ACD/BCF (pH 5.5): 1.08
ACD/KOC (pH 5.5): 18.24
ACD/LogD (pH 7.4): 0.76
ACD/BCF (pH 7.4): 1.30
ACD/KOC (pH 7.4): 22.05
Polar Surface Area: 102 Å2
Polarizability: 43.5±0.5 10-24cm3
Surface Tension: 47.1±7.0 dyne/cm
Molar Volume: 330.9±7.0 cm3

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