ChemSpider 2D Image | MK-7145 | C26H30N2O6

MK-7145

  • Molecular FormulaC26H30N2O6
  • Average mass466.526 Da
  • Monoisotopic mass466.210388 Da
  • ChemSpider ID28424179

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1(3H)-Isobenzofuranone, 5,5'-[1,4-piperazinediylbis[(1R)-1-hydroxy-2,1-ethanediyl]]bis[4-methyl- [ACD/Index Name]
1255204-84-2 [RN]
5,5'-{1,4-Piperazindiylbis[(1R)-1-hydroxy-2,1-ethandiyl]}bis(4-methyl-2-benzofuran-1(3H)-on) [German] [ACD/IUPAC Name]
5,5'-{1,4-Piperazinediylbis[(1R)-1-hydroxy-2,1-ethanediyl]}bis(4-methyl-2-benzofuran-1(3H)-one) [ACD/IUPAC Name]
5,5'-{1,4-Pipérazinediylbis[(1R)-1-hydroxy-2,1-éthanediyl]}bis(4-méthyl-2-benzofuran-1(3H)-one) [French] [ACD/IUPAC Name]
M371870BYL
MK-7145
1255204-84-2 (free base)
5,5'-(1R,1'R)-2,2'-(piperazine-1,4-diyl)bis(1-hydroxyethane-2,1-diyl)bis(4-methylisobenzofuran-1(3H)-one)
UNII:M371870BYL
More...

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

Density: 1.3±0.1 g/cm3
Boiling Point: 750.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.8±3.0 kJ/mol
Flash Point: 407.6±32.9 °C
Index of Refraction: 1.636
Molar Refractivity: 124.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.51
ACD/LogD (pH 5.5): -0.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.16
ACD/LogD (pH 7.4): 1.18
ACD/BCF (pH 7.4): 4.43
ACD/KOC (pH 7.4): 95.16
Polar Surface Area: 100 Å2
Polarizability: 49.4±0.5 10-24cm3
Surface Tension: 61.5±3.0 dyne/cm
Molar Volume: 347.4±3.0 cm3

Click to predict properties on the Chemicalize site


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