Found 43 results

Search term: MF = 'C_{36}H_{40}N_{4}O_{8}'
ChemSpider 2D Image | 5,17-Bis(2-methyl-2-propanyl)-12,22,25,27-tetraoxo-1,9,13,21-tetraazapentacyclo[19.3.1.1~3,7~.1~9,13~.1~15,19~]octacosa-3(28),4,6,10,15(26),16,18,23-octaene-26,28-diyl diacetate | C36H40N4O8

5,17-Bis(2-methyl-2-propanyl)-12,22,25,27-tetraoxo-1,9,13,21-tetraazapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-3(28),4,6,10,15(26),16,18,23-octaene-26,28-diyl diacetate

  • Molecular FormulaC36H40N4O8
  • Average mass656.725 Da
  • Monoisotopic mass656.284607 Da
  • ChemSpider ID8898316

More details:

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

1,9,13,21-Tetraazapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-3,5,7(28),11,15,17,19(26),22-octaene-10,24,25,27-tetrone, 26,28-bis(acetyloxy)-5,17-bis(1,1-dimethylethyl)- [ACD/Index Name]
5,17-Bis(2-methyl-2-propanyl)-12,22,25,27-tetraoxo-1,9,13,21-tetraazapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-3(28),4,6,10,15(26),16,18,23-octaen-26,28-diyl-diacetat [German] [ACD/IUPAC Name]
5,17-Bis(2-methyl-2-propanyl)-12,22,25,27-tetraoxo-1,9,13,21-tetraazapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-3(28),4,6,10,15(26),16,18,23-octaene-26,28-diyl diacetate [ACD/IUPAC Name]
Diacétate de 5,17-bis(2-méthyl-2-propanyl)-12,22,25,27-tétraoxo-1,9,13,21-tétraazapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-3(28),4,6,10,15(26),16,18,23-octaène-26,28-diyle [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 748.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.1±3.0 kJ/mol
Flash Point: 406.5±35.7 °C
Index of Refraction: 1.645
Molar Refractivity: 176.0±0.4 cm3
#H bond acceptors: 12
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 5.73
ACD/LogD (pH 5.5): 4.74
ACD/BCF (pH 5.5): 2371.55
ACD/KOC (pH 5.5): 9066.60
ACD/LogD (pH 7.4): 4.74
ACD/BCF (pH 7.4): 2371.55
ACD/KOC (pH 7.4): 9066.60
Polar Surface Area: 134 Å2
Polarizability: 69.8±0.5 10-24cm3
Surface Tension: 66.3±5.0 dyne/cm
Molar Volume: 485.2±5.0 cm3

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