ChemSpider 2D Image | (1R,6R,11S,24R)-8-(3,3-Dimethylbutanoyl)-26-(tetrahydro-2H-pyran-4-yl)-17,20-dioxa-3,8,14,23,26-pentaazatricyclo[22.2.1.0~6,11~]heptacosane-2,13,22-trione | C31H53N5O7

(1R,6R,11S,24R)-8-(3,3-Dimethylbutanoyl)-26-(tetrahydro-2H-pyran-4-yl)-17,20-dioxa-3,8,14,23,26-pentaazatricyclo[22.2.1.06,11]heptacosane-2,13,22-trione

  • Molecular FormulaC31H53N5O7
  • Average mass607.782 Da
  • Monoisotopic mass607.394470 Da
  • ChemSpider ID84488233

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1R,6R,11S,24R)-8-(3,3-Dimethylbutanoyl)-26-(tetrahydro-2H-pyran-4-yl)-17,20-dioxa-3,8,14,23,26-pentaazatricyclo[22.2.1.06,11]heptacosan-2,13,22-trion [German] [ACD/IUPAC Name]
(1R,6R,11S,24R)-8-(3,3-Dimethylbutanoyl)-26-(tetrahydro-2H-pyran-4-yl)-17,20-dioxa-3,8,14,23,26-pentaazatricyclo[22.2.1.06,11]heptacosane-2,13,22-trione [ACD/IUPAC Name]
(1R,6R,11S,24R)-8-(3,3-Diméthylbutanoyl)-26-(tétrahydro-2H-pyran-4-yl)-17,20-dioxa-3,8,14,23,26-pentaazatricyclo[22.2.1.06,11]heptacosane-2,13,22-trione [French] [ACD/IUPAC Name]
17,20-Methanopyrido[3,4-p][1,4,7,10,13,20]dioxatetraazacyclodocosine-6,15,21(7H,14H,16H)-trione, 2-(3,3-dimethyl-1-oxobutyl)octadecahydro-19-(tetrahydro-2H-pyran-4-yl)-, (4aS,17R,20R,24aR)- [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: 890.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 129.4±3.0 kJ/mol
Flash Point: 492.1±34.3 °C
Index of Refraction: 1.491
Molar Refractivity: 159.5±0.3 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: -0.86
ACD/LogD (pH 5.5): -2.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.39
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.11
Polar Surface Area: 139 Å2
Polarizability: 63.2±0.5 10-24cm3
Surface Tension: 37.0±3.0 dyne/cm
Molar Volume: 551.3±3.0 cm3

Click to predict properties on the Chemicalize site


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