ChemSpider 2D Image | (3R,4S,5R,6S,10R,11R,12R)-11-Acetoxy-1-(benzyloxy)-14-[formyl(methyl)amino]-5-hydroxy-4,6,10,12-tetramethyl-9-oxo-3-tetradecanyl propionate | C32H51NO8

(3R,4S,5R,6S,10R,11R,12R)-11-Acetoxy-1-(benzyloxy)-14-[formyl(methyl)amino]-5-hydroxy-4,6,10,12-tetramethyl-9-oxo-3-tetradecanyl propionate

  • Molecular FormulaC32H51NO8
  • Average mass577.749 Da
  • Monoisotopic mass577.361450 Da
  • ChemSpider ID35034144

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(3r,4s,5r,6s,10r,11r,12r)-11-(Acetyloxy)-1-(Benzyloxy)-14-[formyl(Methyl)amino]-5-Hydroxy-4,6,10,12-Tetramethyl-9-Oxotetradecan-3-Yl Propanoate
(3R,4S,5R,6S,10R,11R,12R)-11-Acetoxy-1-(benzyloxy)-14-[formyl(methyl)amino]-5-hydroxy-4,6,10,12-tetramethyl-9-oxo-3-tetradecanyl propionate [ACD/IUPAC Name]
(3R,4S,5R,6S,10R,11R,12R)-11-Acetoxy-1-(benzyloxy)-14-[formyl(methyl)amino]-5-hydroxy-4,6,10,12-tetramethyl-9-oxo-3-tetradecanylpropionat [German] [ACD/IUPAC Name]
Formamide, N-[(3R,4R,5R,9S,10R,11S,12R)-4-(acetyloxy)-10-hydroxy-3,5,9,11-tetramethyl-6-oxo-12-(1-oxopropoxy)-14-(phenylmethoxy)tetradecyl]-N-methyl- [ACD/Index Name]
Propionate de (3R,4S,5R,6S,10R,11R,12R)-11-acétoxy-1-(benzyloxy)-14-[formyl(méthyl)amino]-5-hydroxy-4,6,10,12-tétraméthyl-9-oxo-3-tétradécanyle [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: 693.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.6±3.0 kJ/mol
Flash Point: 372.9±31.5 °C
Index of Refraction: 1.502
Molar Refractivity: 157.5±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 1
ACD/LogP: 3.72
ACD/LogD (pH 5.5): 4.03
ACD/BCF (pH 5.5): 674.64
ACD/KOC (pH 5.5): 3686.80
ACD/LogD (pH 7.4): 4.03
ACD/BCF (pH 7.4): 674.64
ACD/KOC (pH 7.4): 3686.80
Polar Surface Area: 119 Å2
Polarizability: 62.4±0.5 10-24cm3
Surface Tension: 40.5±3.0 dyne/cm
Molar Volume: 533.6±3.0 cm3

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