ChemSpider 2D Image | (10aS)-9-(Hydroxymethyl)-6,6-dimethyl-3-(2-methyl-2-octanyl)-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-yl N-{[(2-methyl-2-propanyl)oxy]carbonyl}glycinate | C32H49NO6

(10aS)-9-(Hydroxymethyl)-6,6-dimethyl-3-(2-methyl-2-octanyl)-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-yl N-{[(2-methyl-2-propanyl)oxy]carbonyl}glycinate

  • Molecular FormulaC32H49NO6
  • Average mass543.735 Da
  • Monoisotopic mass543.356018 Da
  • ChemSpider ID8801704

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(10aS)-9-(Hydroxymethyl)-6,6-dimethyl-3-(2-methyl-2-octanyl)-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-yl N-{[(2-methyl-2-propanyl)oxy]carbonyl}glycinate [ACD/IUPAC Name]
(10aS)-9-(Hydroxymethyl)-6,6-dimethyl-3-(2-methyl-2-octanyl)-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-yl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}glycinat [German] [ACD/IUPAC Name]
Glycine, N-[(1,1-dimethylethoxy)carbonyl]-, (10aS)-3-(1,1-dimethylheptyl)-6a,7,10,10a-tetrahydro-9-(hydroxymethyl)-6,6-dimethyl-6H-dibenzo[b,d]pyran-1-yl ester [ACD/Index Name]
N-{[(2-Méthyl-2-propanyl)oxy]carbonyl}glycinate de (10aS)-9-(hydroxyméthyl)-6,6-diméthyl-3-(2-méthyl-2-octanyl)-6a,7,10,10a-tétrahydro-6H-benzo[c]chromén-1-yle [French] [ACD/IUPAC 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: 628.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.8±3.0 kJ/mol
Flash Point: 334.0±31.5 °C
Index of Refraction: 1.513
Molar Refractivity: 153.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 9.30
ACD/LogD (pH 5.5): 8.62
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1159226.88
ACD/LogD (pH 7.4): 8.62
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1158782.75
Polar Surface Area: 94 Å2
Polarizability: 60.7±0.5 10-24cm3
Surface Tension: 38.2±3.0 dyne/cm
Molar Volume: 509.3±3.0 cm3

Click to predict properties on the Chemicalize site


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