ChemSpider 2D Image | (1R,17S,23S)-9-(9-Anthrylmethyl)-25,25-dimethoxy-3,6,12,15,24-pentaoxa-9-azatetracyclo[15.6.1.1~1,17~.0~18,23~]pentacosane | C36H47NO7

(1R,17S,23S)-9-(9-Anthrylmethyl)-25,25-dimethoxy-3,6,12,15,24-pentaoxa-9-azatetracyclo[15.6.1.11,17.018,23]pentacosane

  • Molecular FormulaC36H47NO7
  • Average mass605.761 Da
  • Monoisotopic mass605.335266 Da
  • ChemSpider ID30653119

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(1R,17S,23S)-9-(9-Anthrylmethyl)-25,25-dimethoxy-3,6,12,15,24-pentaoxa-9-azatetracyclo[15.6.1.11,17.018,23]pentacosan [German] [ACD/IUPAC Name]
(1R,17S,23S)-9-(9-Anthrylmethyl)-25,25-dimethoxy-3,6,12,15,24-pentaoxa-9-azatetracyclo[15.6.1.11,17.018,23]pentacosane [ACD/IUPAC Name]
(1R,17S,23S)-9-(9-Anthrylméthyl)-25,25-diméthoxy-3,6,12,15,24-pentaoxa-9-azatétracyclo[15.6.1.11,17.018,23]pentacosane [French] [ACD/IUPAC Name]
2H,16H-1,17-Epoxy-1,17-methano-7H-3,6,12,15,9-benzotetraoxaazacyclononadecine, 9-(9-anthracenylmethyl)tetradecahydro-23,23-dimethoxy-, (1R,17S,21aS)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 735.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.2±3.0 kJ/mol
Flash Point: 185.6±30.1 °C
Index of Refraction: 1.619
Molar Refractivity: 171.6±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 6.65
ACD/LogD (pH 5.5): 4.85
ACD/BCF (pH 5.5): 1364.00
ACD/KOC (pH 5.5): 2542.17
ACD/LogD (pH 7.4): 6.09
ACD/BCF (pH 7.4): 23467.49
ACD/KOC (pH 7.4): 43737.88
Polar Surface Area: 68 Å2
Polarizability: 68.0±0.5 10-24cm3
Surface Tension: 54.6±5.0 dyne/cm
Molar Volume: 489.5±5.0 cm3

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