ChemSpider 2D Image | (2R,3R,4R,8S,9S,10S)-1,3,9-Tris(benzyloxy)-2,4,8-trimethyl-10-[(4S,5S)-2,2,5-trimethyl-1,3-dioxan-4-yl]-5-undecanone | C42H58O6

(2R,3R,4R,8S,9S,10S)-1,3,9-Tris(benzyloxy)-2,4,8-trimethyl-10-[(4S,5S)-2,2,5-trimethyl-1,3-dioxan-4-yl]-5-undecanone

  • Molecular FormulaC42H58O6
  • Average mass658.906 Da
  • Monoisotopic mass658.423340 Da
  • ChemSpider ID9368205

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(2R,3R,4R,8S,9S,10S)-1,3,9-Tris(benzyloxy)-2,4,8-trimethyl-10-[(4S,5S)-2,2,5-trimethyl-1,3-dioxan-4-yl]-5-undecanon [German] [ACD/IUPAC Name]
(2R,3R,4R,8S,9S,10S)-1,3,9-Tris(benzyloxy)-2,4,8-trimethyl-10-[(4S,5S)-2,2,5-trimethyl-1,3-dioxan-4-yl]-5-undecanone [ACD/IUPAC Name]
(2R,3R,4R,8S,9S,10S)-1,3,9-Tris(benzyloxy)-2,4,8-triméthyl-10-[(4S,5S)-2,2,5-triméthyl-1,3-dioxan-4-yl]-5-undécanone [French] [ACD/IUPAC Name]
5-Undecanone, 2,4,8-trimethyl-1,3,9-tris(phenylmethoxy)-10-[(4S,5S)-2,2,5-trimethyl-1,3-dioxan-4-yl]-, (2R,3R,4R,8S,9S,10S)- [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: 720.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.2±3.0 kJ/mol
Flash Point: 288.3±32.9 °C
Index of Refraction: 1.524
Molar Refractivity: 192.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 2
ACD/LogP: 9.26
ACD/LogD (pH 5.5): 8.89
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1629868.13
ACD/LogD (pH 7.4): 8.89
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1629868.13
Polar Surface Area: 63 Å2
Polarizability: 76.5±0.5 10-24cm3
Surface Tension: 38.5±3.0 dyne/cm
Molar Volume: 630.3±3.0 cm3

Click to predict properties on the Chemicalize site


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