ChemSpider 2D Image | (2S)-2-(Benzyloxy)-N-{(4R,4aS,6R,8S,8aR)-6-[(2R)-2,3-dihydroxypropyl]-8-methoxy-7,7-dimethylhexahydropyrano[3,2-d][1,3]dioxin-4-yl}-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylenetetrahydro-2H-pyran- 2-yl]acetamide | C31H47NO10

(2S)-2-(Benzyloxy)-N-{(4R,4aS,6R,8S,8aR)-6-[(2R)-2,3-dihydroxypropyl]-8-methoxy-7,7-dimethylhexahydropyrano[3,2-d][1,3]dioxin-4-yl}-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylenetetrahydro-2H-pyran- 2-yl]acetamide

  • Molecular FormulaC31H47NO10
  • Average mass593.706 Da
  • Monoisotopic mass593.320007 Da
  • ChemSpider ID8501595

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(2S)-2-(Benzyloxy)-N-{(4R,4aS,6R,8S,8aR)-6-[(2R)-2,3-dihydroxypropyl]-8-methoxy-7,7-dimethylhexahydropyrano[3,2-d][1,3]dioxin-4-yl}-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylenetetrahydro-2H-pyran- 2-yl]acetamide [ACD/IUPAC Name]
(2S)-2-(Benzyloxy)-N-{(4R,4aS,6R,8S,8aR)-6-[(2R)-2,3-dihydroxypropyl]-8-méthoxy-7,7-diméthylhexahydropyrano[3,2-d][1,3]dioxin-4-yl}-2-[(2R,5R,6R)-2-méthoxy-5,6-diméthyl-4-méthylènetétrahydro-2H-pyran- 2-yl]acétamide [French] [ACD/IUPAC Name]
(2S)-2-(Benzyloxy)-N-{(4R,4aS,6R,8S,8aR)-6-[(2R)-2,3-dihydroxypropyl]-8-methoxy-7,7-dimethylhexahydropyrano[3,2-d][1,3]dioxin-4-yl}-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylentetrahydro-2H-pyran-2 -yl]acetamid [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 739.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.2±3.0 kJ/mol
Flash Point: 401.0±32.9 °C
Index of Refraction: 1.554
Molar Refractivity: 154.8±0.4 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 4.30
ACD/LogD (pH 5.5): 3.02
ACD/BCF (pH 5.5): 115.75
ACD/KOC (pH 5.5): 1043.94
ACD/LogD (pH 7.4): 3.02
ACD/BCF (pH 7.4): 115.75
ACD/KOC (pH 7.4): 1043.92
Polar Surface Area: 134 Å2
Polarizability: 61.4±0.5 10-24cm3
Surface Tension: 50.4±5.0 dyne/cm
Molar Volume: 482.8±5.0 cm3

Click to predict properties on the Chemicalize site


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