ChemSpider 2D Image | 2,6-Dimethylphenyl (5S)-2,4-dideoxy-5-C-{(1R)-1-[(1S,3R,4R,5S)-1,4-dimethyl-2,8-dioxabicyclo[3.2.1]oct-3-yl]ethyl}-3,5-O-isopropylidene-2,4-dimethyl-L-lyxonate | C28H42O6

2,6-Dimethylphenyl (5S)-2,4-dideoxy-5-C-{(1R)-1-[(1S,3R,4R,5S)-1,4-dimethyl-2,8-dioxabicyclo[3.2.1]oct-3-yl]ethyl}-3,5-O-isopropylidene-2,4-dimethyl-L-lyxonate

  • Molecular FormulaC28H42O6
  • Average mass474.629 Da
  • Monoisotopic mass474.298126 Da
  • ChemSpider ID30659091

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(5S)-2,4-Didésoxy-5-C-{(1R)-1-[(1S,3R,4R,5S)-1,4-diméthyl-2,8-dioxabicyclo[3.2.1]oct-3-yl]éthyl}-3,5-O-isopropylidène-2,4-diméthyl-L-lyxonate de 2,6-diméthylphényle [French] [ACD/IUPAC Name]
2,6-Dimethylphenyl (5S)-2,4-dideoxy-5-C-{(1R)-1-[(1S,3R,4R,5S)-1,4-dimethyl-2,8-dioxabicyclo[3.2.1]oct-3-yl]ethyl}-3,5-O-isopropylidene-2,4-dimethyl-L-lyxonate [ACD/IUPAC Name]
2,6-Dimethylphenyl-(5S)-2,4-didesoxy-5-C-{(1R)-1-[(1S,3R,4R,5S)-1,4-dimethyl-2,8-dioxabicyclo[3.2.1]oct-3-yl]ethyl}-3,5-O-isopropyliden-2,4-dimethyl-L-lyxonat [German] [ACD/IUPAC Name]
L-Lyxonic acid, 2,4-dideoxy-5-C-[(1R)-1-[(1S,3R,4R,5S)-1,4-dimethyl-2,8-dioxabicyclo[3.2.1]oct-3-yl]ethyl]-2,4-dimethyl-3,5-O-(1-methylethylidene)-, 2,6-dimethylphenyl ester, (5S)- [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: 531.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.7±3.0 kJ/mol
Flash Point: 222.9±28.8 °C
Index of Refraction: 1.500
Molar Refractivity: 131.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.21
ACD/LogD (pH 5.5): 4.88
ACD/BCF (pH 5.5): 2990.33
ACD/KOC (pH 5.5): 10703.23
ACD/LogD (pH 7.4): 4.88
ACD/BCF (pH 7.4): 2990.33
ACD/KOC (pH 7.4): 10703.23
Polar Surface Area: 63 Å2
Polarizability: 51.9±0.5 10-24cm3
Surface Tension: 34.2±3.0 dyne/cm
Molar Volume: 445.1±3.0 cm3

Click to predict properties on the Chemicalize site


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