ChemSpider 2D Image | (2S,3S,4S,5R,6S,7R)-7-(Methoxymethoxy)-4,6-dimethyl-2-{(4S,5S,6R)-2,2,5-trimethyl-6-[(4E)-4-methyl-4-hepten-2-yl]-1,3-dioxan-4-yl}-3,5-nonanediol | C28H54O6

(2S,3S,4S,5R,6S,7R)-7-(Methoxymethoxy)-4,6-dimethyl-2-{(4S,5S,6R)-2,2,5-trimethyl-6-[(4E)-4-methyl-4-hepten-2-yl]-1,3-dioxan-4-yl}-3,5-nonanediol

  • Molecular FormulaC28H54O6
  • Average mass486.725 Da
  • Monoisotopic mass486.392029 Da
  • ChemSpider ID26576385

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 10 defined stereocentres

More details:

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

(2S,3S,4S,5R,6S,7R)-7-(Methoxymethoxy)-4,6-dimethyl-2-{(4S,5S,6R)-2,2,5-trimethyl-6-[(4E)-4-methyl-4-hepten-2-yl]-1,3-dioxan-4-yl}-3,5-nonandiol [German] [ACD/IUPAC Name]
(2S,3S,4S,5R,6S,7R)-7-(Methoxymethoxy)-4,6-dimethyl-2-{(4S,5S,6R)-2,2,5-trimethyl-6-[(4E)-4-methyl-4-hepten-2-yl]-1,3-dioxan-4-yl}-3,5-nonanediol [ACD/IUPAC Name]
(2S,3S,4S,5R,6S,7R)-7-(Méthoxyméthoxy)-4,6-diméthyl-2-{(4S,5S,6R)-2,2,5-triméthyl-6-[(4E)-4-méthyl-4-heptén-2-yl]-1,3-dioxan-4-yl}-3,5-nonanediol [French] [ACD/IUPAC Name]
3,5-Nonanediol, 2-[(4S,5S,6R)-6-[(3E)-1,3-dimethyl-3-hexen-1-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]-7-(methoxymethoxy)-4,6-dimethyl-, (2S,3S,4S,5R,6S,7R)- [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: 564.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 97.5±6.0 kJ/mol
Flash Point: 295.5±30.1 °C
Index of Refraction: 1.467
Molar Refractivity: 139.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 5.39
ACD/LogD (pH 5.5): 5.47
ACD/BCF (pH 5.5): 8487.62
ACD/KOC (pH 5.5): 22584.74
ACD/LogD (pH 7.4): 5.47
ACD/BCF (pH 7.4): 8487.62
ACD/KOC (pH 7.4): 22584.74
Polar Surface Area: 77 Å2
Polarizability: 55.2±0.5 10-24cm3
Surface Tension: 32.4±3.0 dyne/cm
Molar Volume: 501.8±3.0 cm3

Click to predict properties on the Chemicalize site


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