ChemSpider 2D Image | (3aS,4S,5S,5aR,7R,9aS,12aS,12bR)-11-(Dimethylamino)-5-hydroxy-3,3,5a,7,12b-pentamethyl-9-oxo-7-vinyldecahydro-1H,7H-6,10,12-trioxabenzo[de]phenanthren-4-yl (2-methoxyethyl)carbamate | C27H44N2O8

(3aS,4S,5S,5aR,7R,9aS,12aS,12bR)-11-(Dimethylamino)-5-hydroxy-3,3,5a,7,12b-pentamethyl-9-oxo-7-vinyldecahydro-1H,7H-6,10,12-trioxabenzo[de]phenanthren-4-yl (2-methoxyethyl)carbamate

  • Molecular FormulaC27H44N2O8
  • Average mass524.647 Da
  • Monoisotopic mass524.309753 Da
  • ChemSpider ID9015107
  • defined stereocentres - 8 of 9 defined stereocentres


More details:






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

(2-Méthoxyéthyl)carbamate de (3aS,4S,5S,5aR,7R,9aS,12aS,12bR)-11-(diméthylamino)-5-hydroxy-3,3,5a,7,12b-pentaméthyl-9-oxo-7-vinyldécahydro-1H,7H-6,10,12-trioxabenzo[de]phénanthrén-4-yle [French] [ACD/IUPAC Name]
(3aS,4S,5S,5aR,7R,9aS,12aS,12bR)-11-(Dimethylamino)-5-hydroxy-3,3,5a,7,12b-pentamethyl-9-oxo-7-vinyldecahydro-1H,7H-6,10,12-trioxabenzo[de]phenanthren-4-yl (2-methoxyethyl)carbamate [ACD/IUPAC Name]
(3aS,4S,5S,5aR,7R,9aS,12aS,12bR)-11-(Dimethylamino)-5-hydroxy-3,3,5a,7,12b-pentamethyl-9-oxo-7-vinyldecahydro-1H,7H-6,10,12-trioxabenzo[de]phenanthren-4-yl-(2-methoxyethyl)carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-(2-methoxyethyl)-, (2R,4aS,7aS,10aS,10bR,11S,12S,12aR)-6-(dimethylamino)-2-ethenyldecahydro-12-hydroxy-2,10,10,10b,12a-pentamethyl-4-oxo-2H,8H-pyrano[2',3':7,8]naphtho[1,8-de][1,3]dio xin-11-yl ester [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 627.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.2 mmHg at 25°C
Enthalpy of Vaporization: 106.4±6.0 kJ/mol
Flash Point: 333.1±31.5 °C
Index of Refraction: 1.547
Molar Refractivity: 136.6±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 5.14
ACD/LogD (pH 5.5): 4.70
ACD/BCF (pH 5.5): 2160.33
ACD/KOC (pH 5.5): 8403.87
ACD/LogD (pH 7.4): 4.71
ACD/BCF (pH 7.4): 2229.86
ACD/KOC (pH 7.4): 8674.35
Polar Surface Area: 116 Å2
Polarizability: 54.2±0.5 10-24cm3
Surface Tension: 48.7±5.0 dyne/cm
Molar Volume: 430.8±5.0 cm3

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