ChemSpider 2D Image | (1R,1'R,1''R,1'''R)-1,1',1'',1'''-{[4,8-Di(1-piperidinyl)pyrimido[5,4-d]pyrimidine-2,6-diyl]dinitrilo}tetraethanol | C24H40N8O4

(1R,1'R,1''R,1'''R)-1,1',1'',1'''-{[4,8-Di(1-piperidinyl)pyrimido[5,4-d]pyrimidine-2,6-diyl]dinitrilo}tetraethanol

  • Molecular FormulaC24H40N8O4
  • Average mass504.626 Da
  • Monoisotopic mass504.317261 Da
  • ChemSpider ID62314702

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1R,1'R,1''R,1'''R)-1,1',1'',1'''-{[4,8-Di(1-piperidinyl)pyrimido[5,4-d]pyrimidin-2,6-diyl]dinitrilo}tetraethanol [German] [ACD/IUPAC Name]
(1R,1'R,1''R,1'''R)-1,1',1'',1'''-{[4,8-Di(1-piperidinyl)pyrimido[5,4-d]pyrimidine-2,6-diyl]dinitrilo}tetraethanol [ACD/IUPAC Name]
(1R,1'R,1''R,1'''R)-1,1',1'',1'''-{[4,8-Di(1-pipéridinyl)pyrimido[5,4-d]pyrimidine-2,6-diyl]dinitrilo}tetraéthanol [French] [ACD/IUPAC Name]
Ethanol, 1,1',1'',1'''-[(4,8-di-1-piperidinylpyrimido[5,4-d]pyrimidine-2,6-diyl)dinitrilo]tetrakis-, (1R,1'R,1''R,1'''R)- [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: 731.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.0±3.0 kJ/mol
Flash Point: 396.1±35.7 °C
Index of Refraction: 1.666
Molar Refractivity: 139.2±0.3 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 0.62
ACD/LogD (pH 5.5): 1.10
ACD/BCF (pH 5.5): 3.14
ACD/KOC (pH 5.5): 58.49
ACD/LogD (pH 7.4): 1.55
ACD/BCF (pH 7.4): 8.81
ACD/KOC (pH 7.4): 164.04
Polar Surface Area: 145 Å2
Polarizability: 55.2±0.5 10-24cm3
Surface Tension: 78.0±3.0 dyne/cm
Molar Volume: 374.5±3.0 cm3

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