Found 1 result

Search term: 17214519 (Found by CSID)
ChemSpider 2D Image | (2R,3S,13R,14S)-8,19-Dibutyl-10,21,24,26-tetrahydroxy-3,14-dimethyltricyclo[18.2.2.2~9,12~]hexacosa-1(22),9,11,20,23,25-hexaene-2,13-diyl dicarbamate | C38H58N2O8

(2R,3S,13R,14S)-8,19-Dibutyl-10,21,24,26-tetrahydroxy-3,14-dimethyltricyclo[18.2.2.29,12]hexacosa-1(22),9,11,20,23,25-hexaene-2,13-diyl dicarbamate

  • Molecular FormulaC38H58N2O8
  • Average mass670.876 Da
  • Monoisotopic mass670.419312 Da
  • ChemSpider ID17214519

  • defined stereocentres - 4 of 6 defined stereocentres

More details:

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

(2R,3S,13R,14S)-8,19-Dibutyl-10,21,24,26-tetrahydroxy-3,14-dimethyltricyclo[18.2.2.29,12]hexacosa-1(22),9,11,20,23,25-hexaen-2,13-diyldicarbamat [German] [ACD/IUPAC Name]
(2R,3S,13R,14S)-8,19-Dibutyl-10,21,24,26-tetrahydroxy-3,14-dimethyltricyclo[18.2.2.29,12]hexacosa-1(22),9,11,20,23,25-hexaene-2,13-diyl dicarbamate [ACD/IUPAC Name]
Dicarbamate de (2R,3S,13R,14S)-8,19-dibutyl-10,21,24,26-tétrahydroxy-3,14-diméthyltricyclo[18.2.2.29,12]hexacosa-1(22),9,11,20,23,25-hexaène-2,13-diyle [French] [ACD/IUPAC Name]
Tricyclo[18.2.2.29,12]hexacosa-9,11,20,22,23,25-hexaene-2,10,13,21,24,26-hexol, 8,19-dibutyl-3,14-dimethyl-, 2,13-dicarbamate, (2R,3S,13R,14S)- [ACD/Index Name]
carbamidocyclophane E

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

Density: 1.2±0.1 g/cm3
Boiling Point: 899.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 135.2±3.0 kJ/mol
Flash Point: 497.8±34.3 °C
Index of Refraction: 1.588
Molar Refractivity: 186.8±0.4 cm3
#H bond acceptors: 10
#H bond donors: 8
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 4
ACD/LogP: 9.85
ACD/LogD (pH 5.5): 8.21
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 695331.94
ACD/LogD (pH 7.4): 8.20
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 685653.75
Polar Surface Area: 186 Å2
Polarizability: 74.0±0.5 10-24cm3
Surface Tension: 60.2±5.0 dyne/cm
Molar Volume: 554.8±5.0 cm3

Click to predict properties on the Chemicalize site


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