ChemSpider 2D Image | Dodecyl [(1R,2R,6S,6aS,11bS,11cS)-6a-(allyloxy)-1,2-bis(4-hydroxybutyl)-4-(methoxyimino)-10-(2-naphthyloxy)-1,2,4,5,6,6a,11b,11c-octahydrobenzo[kl]xanthen-6-yl][2-(2-hydroxyethoxy)ethyl]carbamate | C55H78N2O10

Dodecyl [(1R,2R,6S,6aS,11bS,11cS)-6a-(allyloxy)-1,2-bis(4-hydroxybutyl)-4-(methoxyimino)-10-(2-naphthyloxy)-1,2,4,5,6,6a,11b,11c-octahydrobenzo[kl]xanthen-6-yl][2-(2-hydroxyethoxy)ethyl]carbamate

  • Molecular FormulaC55H78N2O10
  • Average mass927.215 Da
  • Monoisotopic mass926.565674 Da
  • ChemSpider ID5068164

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

[(1R,2R,6S,6aS,11bS,11cS)-6a-(Allyloxy)-1,2-bis(4-hydroxybutyl)-4-(méthoxyimino)-10-(2-naphtyloxy)-1,2,4,5,6,6a,11b,11c-octahydrobenzo[kl]xanthén-6-yl][2-(2-hydroxyéthoxy)éthyl]carbamate de dodécyle [French] [ACD/IUPAC Name]
Carbamic acid, N-[2-(2-hydroxyethoxy)ethyl]-N-[(1R,2R,6S,6aS,11bS,11cS)-1,2,4,5,6,6a,11b,11c-octahydro-1,2-bis(4-hydroxybutyl)-4-(methoxyimino)-10-(2-naphthalenyloxy)-6a-(2-propen-1-yloxy)benzo[kl]xan then-6-yl]-, dodecyl ester [ACD/Index Name]
Dodecyl [(1R,2R,6S,6aS,11bS,11cS)-6a-(allyloxy)-1,2-bis(4-hydroxybutyl)-4-(methoxyimino)-10-(2-naphthyloxy)-1,2,4,5,6,6a,11b,11c-octahydrobenzo[kl]xanthen-6-yl][2-(2-hydroxyethoxy)ethyl]carbamate [ACD/IUPAC Name]
Dodecyl-[(1R,2R,6S,6aS,11bS,11cS)-6a-(allyloxy)-1,2-bis(4-hydroxybutyl)-4-(methoxyimino)-10-(2-naphthyloxy)-1,2,4,5,6,6a,11b,11c-octahydrobenzo[kl]xanthen-6-yl][2-(2-hydroxyethoxy)ethyl]carbamat [German] [ACD/IUPAC Name]
CLL1_009760

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

Density: 1.2±0.1 g/cm3
Boiling Point: 940.0±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 143.3±3.0 kJ/mol
Flash Point: 522.3±37.1 °C
Index of Refraction: 1.571
Molar Refractivity: 259.5±0.5 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 32
#Rule of 5 Violations: 3
ACD/LogP: 13.24
ACD/LogD (pH 5.5): 12.67
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 12.67
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 149 Å2
Polarizability: 102.9±0.5 10-24cm3
Surface Tension: 43.9±7.0 dyne/cm
Molar Volume: 790.0±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement