ChemSpider 2D Image | (2S,4S,5R,8S,9E,12S,14S)-15-(Benzyloxy)-5-hydroxy-1-[(4-methoxybenzyl)oxy]-2,4,8,10,12,14-hexamethyl-9-pentadecen-3-one | C36H54O5

(2S,4S,5R,8S,9E,12S,14S)-15-(Benzyloxy)-5-hydroxy-1-[(4-methoxybenzyl)oxy]-2,4,8,10,12,14-hexamethyl-9-pentadecen-3-one

  • Molecular FormulaC36H54O5
  • Average mass566.811 Da
  • Monoisotopic mass566.397095 Da
  • ChemSpider ID9810230
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres


More details:






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

(2S,4S,5R,8S,9E,12S,14S)-15-(Benzyloxy)-5-hydroxy-1-[(4-methoxybenzyl)oxy]-2,4,8,10,12,14-hexamethyl-9-pentadecen-3-on [German] [ACD/IUPAC Name]
(2S,4S,5R,8S,9E,12S,14S)-15-(Benzyloxy)-5-hydroxy-1-[(4-methoxybenzyl)oxy]-2,4,8,10,12,14-hexamethyl-9-pentadecen-3-one [ACD/IUPAC Name]
(2S,4S,5R,8S,9E,12S,14S)-15-(Benzyloxy)-5-hydroxy-1-[(4-méthoxybenzyl)oxy]-2,4,8,10,12,14-hexaméthyl-9-pentadécén-3-one [French] [ACD/IUPAC Name]
9-Pentadecen-3-one, 5-hydroxy-1-[(4-methoxyphenyl)methoxy]-2,4,8,10,12,14-hexamethyl-15-(phenylmethoxy)-, (2S,4S,5R,8S,9E,12S,14S)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 663.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.6±3.0 kJ/mol
Flash Point: 196.6±25.0 °C
Index of Refraction: 1.519
Molar Refractivity: 169.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 2
ACD/LogP: 8.91
ACD/LogD (pH 5.5): 8.50
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1006026.13
ACD/LogD (pH 7.4): 8.50
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1006026.13
Polar Surface Area: 65 Å2
Polarizability: 67.0±0.5 10-24cm3
Surface Tension: 37.5±3.0 dyne/cm
Molar Volume: 556.6±3.0 cm3

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