ChemSpider 2D Image | (7S,8R,9S)-8-[(Benzyloxy)methoxy]-7-hydroxy-10-[(4S,5S)-5-{3-[(4-methoxybenzyl)oxy]propyl}-2,2-dimethyl-1,3-dioxolan-4-yl]-2,9-dimethyl-1-decen-5-one | C36H52O8

(7S,8R,9S)-8-[(Benzyloxy)methoxy]-7-hydroxy-10-[(4S,5S)-5-{3-[(4-methoxybenzyl)oxy]propyl}-2,2-dimethyl-1,3-dioxolan-4-yl]-2,9-dimethyl-1-decen-5-one

  • Molecular FormulaC36H52O8
  • Average mass612.793 Da
  • Monoisotopic mass612.366211 Da
  • ChemSpider ID9585839

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(7S,8R,9S)-8-[(Benzyloxy)methoxy]-7-hydroxy-10-[(4S,5S)-5-{3-[(4-methoxybenzyl)oxy]propyl}-2,2-dimethyl-1,3-dioxolan-4-yl]-2,9-dimethyl-1-decen-5-on [German] [ACD/IUPAC Name]
(7S,8R,9S)-8-[(Benzyloxy)methoxy]-7-hydroxy-10-[(4S,5S)-5-{3-[(4-methoxybenzyl)oxy]propyl}-2,2-dimethyl-1,3-dioxolan-4-yl]-2,9-dimethyl-1-decen-5-one [ACD/IUPAC Name]
(7S,8R,9S)-8-[(Benzyloxy)méthoxy]-7-hydroxy-10-[(4S,5S)-5-{3-[(4-méthoxybenzyl)oxy]propyl}-2,2-diméthyl-1,3-dioxolan-4-yl]-2,9-diméthyl-1-décén-5-one [French] [ACD/IUPAC Name]
1-Decen-5-one, 7-hydroxy-10-[(4S,5S)-5-[3-[(4-methoxyphenyl)methoxy]propyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,9-dimethyl-8-[(phenylmethoxy)methoxy]-, (7S,8R,9S)- [ACD/Index 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: 697.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.3±3.0 kJ/mol
Flash Point: 208.2±25.0 °C
Index of Refraction: 1.514
Molar Refractivity: 171.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 2
ACD/LogP: 6.92
ACD/LogD (pH 5.5): 6.30
ACD/BCF (pH 5.5): 36000.08
ACD/KOC (pH 5.5): 63531.00
ACD/LogD (pH 7.4): 6.30
ACD/BCF (pH 7.4): 36000.04
ACD/KOC (pH 7.4): 63530.93
Polar Surface Area: 93 Å2
Polarizability: 68.1±0.5 10-24cm3
Surface Tension: 40.2±3.0 dyne/cm
Molar Volume: 570.6±3.0 cm3

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