ChemSpider 2D Image | (5S)-4-(Methoxymethoxy)-3-[(2S,6Z)-2-(methoxymethoxy)-7-{(2S,2'S,5S,5'S)-5'-[(1S)-1-(methoxymethoxy)pentadecyl]octahydro-2,2'-bifuran-5-yl}-6-hepten-4-yn-1-yl]-5-methyldihydro-2(3H)-furanone (non-pref erred name) | C41H70O10

(5S)-4-(Methoxymethoxy)-3-[(2S,6Z)-2-(methoxymethoxy)-7-{(2S,2'S,5S,5'S)-5'-[(1S)-1-(methoxymethoxy)pentadecyl]octahydro-2,2'-bifuran-5-yl}-6-hepten-4-yn-1-yl]-5-methyldihydro-2(3H)-furanone (non-pref erred name)

  • Molecular FormulaC41H70O10
  • Average mass722.989 Da
  • Monoisotopic mass722.496887 Da
  • ChemSpider ID10003328

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 9 defined stereocentres

More details:

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

(5S)-4-(Methoxymethoxy)-3-[(2S,6Z)-2-(methoxymethoxy)-7-{(2S,2'S,5S,5'S)-5'-[(1S)-1-(methoxymethoxy)pentadecyl]octahydro-2,2'-bifuran-5-yl}-6-hepten-4-in-1-yl]-5-methyldihydro-2(3H)-furanon (non-prefe rred name) [German] [ACD/IUPAC Name]
(5S)-4-(Methoxymethoxy)-3-[(2S,6Z)-2-(methoxymethoxy)-7-{(2S,2'S,5S,5'S)-5'-[(1S)-1-(methoxymethoxy)pentadecyl]octahydro-2,2'-bifuran-5-yl}-6-hepten-4-yn-1-yl]-5-methyldihydro-2(3H)-furanone (non-pref erred name) [ACD/IUPAC Name]
(5S)-4-(Méthoxyméthoxy)-3-[(2S,6Z)-2-(méthoxyméthoxy)-7-{(2S,2'S,5S,5'S)-5'-[(1S)-1-(méthoxyméthoxy)pentadécyl]octahydro-2,2'-bifuran-5-yl}-6-heptén-4-yn-1-yl]-5-méthyldihydro-2(3H)-furanone (non-pref erred name) [French] [ACD/IUPAC 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: 750.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.4±3.0 kJ/mol
Flash Point: 296.4±32.9 °C
Index of Refraction: 1.505
Molar Refractivity: 199.3±0.4 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 30
#Rule of 5 Violations: 3
ACD/LogP: 8.72
ACD/LogD (pH 5.5): 8.53
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1038211.63
ACD/LogD (pH 7.4): 8.53
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1038211.63
Polar Surface Area: 100 Å2
Polarizability: 79.0±0.5 10-24cm3
Surface Tension: 42.8±5.0 dyne/cm
Molar Volume: 671.9±5.0 cm3

Click to predict properties on the Chemicalize site


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