ChemSpider 2D Image | (10S,13R)-10-Isopropyl-4,26-dimethoxy-13-methyl-19-(tetrahydro-2H-pyran-4-ylcarbonyl)-2-oxa-8,11,14,19,22-pentaazatricyclo[22.2.2.2~3,6~]triaconta-1(26),3,5,24,27,29-hexaene-9,12,15,23-tetrone | C36H49N5O9

(10S,13R)-10-Isopropyl-4,26-dimethoxy-13-methyl-19-(tetrahydro-2H-pyran-4-ylcarbonyl)-2-oxa-8,11,14,19,22-pentaazatricyclo[22.2.2.23,6]triaconta-1(26),3,5,24,27,29-hexaene-9,12,15,23-tetrone

  • Molecular FormulaC36H49N5O9
  • Average mass695.802 Da
  • Monoisotopic mass695.353027 Da
  • ChemSpider ID81379227

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(10S,13R)-10-Isopropyl-4,26-dimethoxy-13-methyl-19-(tetrahydro-2H-pyran-4-ylcarbonyl)-2-oxa-8,11,14,19,22-pentaazatricyclo[22.2.2.23,6]triaconta-1(26),3,5,24,27,29-hexaen-9,12,15,23-tetron [German] [ACD/IUPAC Name]
(10S,13R)-10-Isopropyl-4,26-dimethoxy-13-methyl-19-(tetrahydro-2H-pyran-4-ylcarbonyl)-2-oxa-8,11,14,19,22-pentaazatricyclo[22.2.2.23,6]triaconta-1(26),3,5,24,27,29-hexaene-9,12,15,23-tetrone [ACD/IUPAC Name]
(10S,13R)-10-Isopropyl-4,26-diméthoxy-13-méthyl-19-(tétrahydro-2H-pyran-4-ylcarbonyl)-2-oxa-8,11,14,19,22-pentaazatricyclo[22.2.2.23,6]triaconta-1(26),3,5,24,27,29-hexaène-9,12,15,23-tétrone [French] [ACD/IUPAC Name]
2-Oxa-8,11,14,19,22-pentaazatricyclo[22.2.2.23,6]triaconta-3,5,24,26,27,29-hexaene-9,12,15,23-tetrone, 4,26-dimethoxy-13-methyl-10-(1-methylethyl)-19-[(tetrahydro-2H-pyran-4-yl)carbonyl]-, (10S,13R) - [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: 1043.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 153.0±3.0 kJ/mol
Flash Point: 585.1±34.3 °C
Index of Refraction: 1.514
Molar Refractivity: 182.8±0.3 cm3
#H bond acceptors: 14
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: -2.27
ACD/LogD (pH 5.5): -0.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 22.87
ACD/LogD (pH 7.4): -0.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 22.87
Polar Surface Area: 174 Å2
Polarizability: 72.5±0.5 10-24cm3
Surface Tension: 38.4±3.0 dyne/cm
Molar Volume: 607.0±3.0 cm3

Click to predict properties on the Chemicalize site


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