ChemSpider 2D Image | Bis(3-methylbutyl) (2S,3R,10R,11S)-2,3,10,11-tetrahydroxydodecanedioate | C22H42O8

Bis(3-methylbutyl) (2S,3R,10R,11S)-2,3,10,11-tetrahydroxydodecanedioate

  • Molecular FormulaC22H42O8
  • Average mass434.564 Da
  • Monoisotopic mass434.287964 Da
  • ChemSpider ID30855985

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2S,3R,10R,11S)-2,3,10,11-Tétrahydroxydodécanedioate de bis(3-méthylbutyle) [French] [ACD/IUPAC Name]
Bis(3-methylbutyl) (2S,3R,10R,11S)-2,3,10,11-tetrahydroxydodecanedioate [ACD/IUPAC Name]
Bis(3-methylbutyl)-(2S,3R,10R,11S)-2,3,10,11-tetrahydroxydodecandioat [German] [ACD/IUPAC Name]
Dodecanedioic acid, 2,3,10,11-tetrahydroxy-, bis(3-methylbutyl) ester, (2S,3R,10R,11S)- [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: 580.9±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 99.8±6.0 kJ/mol
Flash Point: 187.9±15.3 °C
Index of Refraction: 1.492
Molar Refractivity: 113.4±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 0
ACD/LogP: 2.21
ACD/LogD (pH 5.5): 2.23
ACD/BCF (pH 5.5): 28.97
ACD/KOC (pH 5.5): 387.31
ACD/LogD (pH 7.4): 2.23
ACD/BCF (pH 7.4): 28.97
ACD/KOC (pH 7.4): 387.30
Polar Surface Area: 134 Å2
Polarizability: 45.0±0.5 10-24cm3
Surface Tension: 44.2±3.0 dyne/cm
Molar Volume: 390.9±3.0 cm3

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