Found 8 results

Search term: MF = 'C_{54}H_{78}N_{2}O_{9}'
ChemSpider 2D Image | N-(1,3-Benzodioxol-5-ylmethyl)-N-[(1R,2R,6S,6aS,11bS,11cS)-6a,10-bis(allyloxy)-1,2-bis(4-hydroxybutyl)-4-{[(2-methyl-2-propanyl)oxy]imino}-1,2,4,5,6,6a,11b,11c-octahydrobenzo[kl]xanthen-6-yl]dodecanam ide | C54H78N2O9

N-(1,3-Benzodioxol-5-ylmethyl)-N-[(1R,2R,6S,6aS,11bS,11cS)-6a,10-bis(allyloxy)-1,2-bis(4-hydroxybutyl)-4-{[(2-methyl-2-propanyl)oxy]imino}-1,2,4,5,6,6a,11b,11c-octahydrobenzo[kl]xanthen-6-yl]dodecanam ide

  • Molecular FormulaC54H78N2O9
  • Average mass899.205 Da
  • Monoisotopic mass898.570740 Da
  • ChemSpider ID5058945

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

Dodecanamide, N-(1,3-benzodioxol-5-ylmethyl)-N-[(1R,2R,6S,6aS,11bS,11cS)-4-[(1,1-dimethylethoxy)imino]-1,2,4,5,6,6a,11b,11c-octahydro-1,2-bis(4-hydroxybutyl)-6a,10-bis(2-propen-1-yloxy)benzo[kl]xanthe n-6-yl]- [ACD/Index Name]
N-(1,3-Benzodioxol-5-ylmethyl)-N-[(1R,2R,6S,6aS,11bS,11cS)-6a,10-bis(allyloxy)-1,2-bis(4-hydroxybutyl)-4-{[(2-methyl-2-propanyl)oxy]imino}-1,2,4,5,6,6a,11b,11c-octahydrobenzo[kl]xanthen-6-yl]dodecanam id [German] [ACD/IUPAC Name]
N-(1,3-Benzodioxol-5-ylmethyl)-N-[(1R,2R,6S,6aS,11bS,11cS)-6a,10-bis(allyloxy)-1,2-bis(4-hydroxybutyl)-4-{[(2-methyl-2-propanyl)oxy]imino}-1,2,4,5,6,6a,11b,11c-octahydrobenzo[kl]xanthen-6-yl]dodecanam ide [ACD/IUPAC Name]
N-(1,3-Benzodioxol-5-ylméthyl)-N-[(1R,2R,6S,6aS,11bS,11cS)-6a,10-bis(allyloxy)-1,2-bis(4-hydroxybutyl)-4-{[(2-méthyl-2-propanyl)oxy]imino}-1,2,4,5,6,6a,11b,11c-octahydrobenzo[kl]xanthén-6-yl]dodécanam ide [French] [ACD/IUPAC Name]
CLL1_000492

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

Density: 1.2±0.1 g/cm3
Boiling Point: 911.9±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 138.9±3.0 kJ/mol
Flash Point: 505.3±37.1 °C
Index of Refraction: 1.565
Molar Refractivity: 254.0±0.5 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 29
#Rule of 5 Violations: 3
ACD/LogP: 13.35
ACD/LogD (pH 5.5): 12.60
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 12.60
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 129 Å2
Polarizability: 100.7±0.5 10-24cm3
Surface Tension: 41.7±7.0 dyne/cm
Molar Volume: 779.6±7.0 cm3

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