ChemSpider 2D Image | Bis{2-[(1R,3r)-adamantan-1-ylamino]-2-oxoethyl} (2E)-2-butenedioate | C28H38N2O6

Bis{2-[(1R,3r)-adamantan-1-ylamino]-2-oxoethyl} (2E)-2-butenedioate

  • Molecular FormulaC28H38N2O6
  • Average mass498.611 Da
  • Monoisotopic mass498.272980 Da
  • ChemSpider ID80795479

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 8 defined stereocentres

More details:

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

(2E)-2-Butènedioate de bis{2-[(1R,3r)-adamantan-1-ylamino]-2-oxoéthyle} [French] [ACD/IUPAC Name]
2-Butenedioic acid, bis[2-oxo-2-[(1R)-tricyclo[3.3.1.13,7]dec-1-ylamino]ethyl] ester, (2E)- [ACD/Index Name]
Bis{2-[(1R,3r)-adamantan-1-ylamino]-2-oxoethyl} (2E)-2-butenedioate [ACD/IUPAC Name]
Bis{2-[(1R,3r)-adamantan-1-ylamino]-2-oxoethyl}-(2E)-2-butendioat [German] [ACD/IUPAC 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: 717.0±53.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.8±3.0 kJ/mol
Flash Point: 387.4±30.9 °C
Index of Refraction: 1.591
Molar Refractivity: 130.5±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 4.13
ACD/LogD (pH 5.5): 3.71
ACD/BCF (pH 5.5): 386.48
ACD/KOC (pH 5.5): 2474.41
ACD/LogD (pH 7.4): 3.71
ACD/BCF (pH 7.4): 386.48
ACD/KOC (pH 7.4): 2474.41
Polar Surface Area: 111 Å2
Polarizability: 51.7±0.5 10-24cm3
Surface Tension: 56.8±5.0 dyne/cm
Molar Volume: 386.3±5.0 cm3

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