ChemSpider 2D Image | MFCD10569441 | C27H42O7

MFCD10569441

  • Molecular FormulaC27H42O7
  • Average mass478.618 Da
  • Monoisotopic mass478.293060 Da
  • ChemSpider ID22899807
  • defined stereocentres - 2 of 4 defined stereocentres


More details:






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

(2R,3S)-7-Hydroxy-2-[(4-methoxybenzyl)oxy]-3-[(2-methoxyethoxy)methoxy]-4,4,11,11-tetramethylbicyclo[5.3.1]undecan-8-on [German] [ACD/IUPAC Name]
(2R,3S)-7-Hydroxy-2-[(4-methoxybenzyl)oxy]-3-[(2-methoxyethoxy)methoxy]-4,4,11,11-tetramethylbicyclo[5.3.1]undecan-8-one [ACD/IUPAC Name]
(2R,3S)-7-Hydroxy-2-[(4-méthoxybenzyl)oxy]-3-[(2-méthoxyéthoxy)méthoxy]-4,4,11,11-tétraméthylbicyclo[5.3.1]undécan-8-one [French] [ACD/IUPAC Name]
Bicyclo[5.3.1]undecan-8-one, 7-hydroxy-3-[(2-methoxyethoxy)methoxy]-2-[(4-methoxyphenyl)methoxy]-4,4,11,11-tetramethyl-, (2R,3S)- [ACD/Index Name]
MFCD10569441

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

Density: 1.1±0.1 g/cm3
Boiling Point: 564.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.2±3.0 kJ/mol
Flash Point: 176.8±23.6 °C
Index of Refraction: 1.529
Molar Refractivity: 130.2±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 3.78
ACD/LogD (pH 5.5): 4.02
ACD/BCF (pH 5.5): 666.67
ACD/KOC (pH 5.5): 3655.58
ACD/LogD (pH 7.4): 4.02
ACD/BCF (pH 7.4): 666.66
ACD/KOC (pH 7.4): 3655.56
Polar Surface Area: 83 Å2
Polarizability: 51.6±0.5 10-24cm3
Surface Tension: 44.7±5.0 dyne/cm
Molar Volume: 422.0±5.0 cm3

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