ChemSpider 2D Image | N-[2-(5-{[(2R,3R,4S,5R)-3,4-Dihydroxy-5-methoxy-6,6-dimethyltetrahydro-2H-pyran-2-yl]oxy}-3'-fluoro-2-biphenylyl)ethyl]acetamide | C24H30FNO6

N-[2-(5-{[(2R,3R,4S,5R)-3,4-Dihydroxy-5-methoxy-6,6-dimethyltetrahydro-2H-pyran-2-yl]oxy}-3'-fluoro-2-biphenylyl)ethyl]acetamide

  • Molecular FormulaC24H30FNO6
  • Average mass447.496 Da
  • Monoisotopic mass447.205719 Da
  • ChemSpider ID28665905

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

1450642-92-8 [RN]
N-[2-(5-{[(2R,3R,4S,5R)-3,4-Dihydroxy-5-methoxy-6,6-dimethyltetrahydro-2H-pyran-2-yl]oxy}-3'-fluor-2-biphenylyl)ethyl]acetamid [German] [ACD/IUPAC Name]
N-[2-(5-{[(2R,3R,4S,5R)-3,4-Dihydroxy-5-methoxy-6,6-dimethyltetrahydro-2H-pyran-2-yl]oxy}-3'-fluoro-2-biphenylyl)ethyl]acetamide [ACD/IUPAC Name]
N-[2-(5-{[(2R,3R,4S,5R)-3,4-Dihydroxy-5-méthoxy-6,6-diméthyltétrahydro-2H-pyran-2-yl]oxy}-3'-fluoro-2-biphénylyl)éthyl]acétamide [French] [ACD/IUPAC Name]
KU 596
KU-596

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

T78QNE8JSI [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 665.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.8±3.0 kJ/mol
Flash Point: 356.1±31.5 °C
Index of Refraction: 1.582
Molar Refractivity: 117.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.83
ACD/LogD (pH 5.5): 2.49
ACD/BCF (pH 5.5): 45.61
ACD/KOC (pH 5.5): 536.03
ACD/LogD (pH 7.4): 2.49
ACD/BCF (pH 7.4): 45.61
ACD/KOC (pH 7.4): 536.02
Polar Surface Area: 97 Å2
Polarizability: 46.4±0.5 10-24cm3
Surface Tension: 53.6±5.0 dyne/cm
Molar Volume: 350.8±5.0 cm3

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