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ChemSpider 2D Image | (2S,3R,6S)-2-Decyl-3-(methoxymethoxy)-6-{(5S,8S)-8-[(2S,5S)-5-(2-propyn-1-yl)tetrahydro-2-furanyl]-2,4,9,11-tetraoxadodecan-5-yl}tetrahydro-2H-pyran | C32H58O8

(2S,3R,6S)-2-Decyl-3-(methoxymethoxy)-6-{(5S,8S)-8-[(2S,5S)-5-(2-propyn-1-yl)tetrahydro-2-furanyl]-2,4,9,11-tetraoxadodecan-5-yl}tetrahydro-2H-pyran

  • Molecular FormulaC32H58O8
  • Average mass570.798 Da
  • Monoisotopic mass570.413147 Da
  • ChemSpider ID9344186
  • defined stereocentres - 7 of 7 defined stereocentres


More details:






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

(2S,3R,6S)-2-Decyl-3-(methoxymethoxy)-6-{(5S,8S)-8-[(2S,5S)-5-(2-propin-1-yl)tetrahydro-2-furanyl]-2,4,9,11-tetraoxadodecan-5-yl}tetrahydro-2H-pyran [German] [ACD/IUPAC Name]
(2S,3R,6S)-2-Decyl-3-(methoxymethoxy)-6-{(5S,8S)-8-[(2S,5S)-5-(2-propyn-1-yl)tetrahydro-2-furanyl]-2,4,9,11-tetraoxadodecan-5-yl}tetrahydro-2H-pyran [ACD/IUPAC Name]
(2S,3R,6S)-2-Décyl-3-(méthoxyméthoxy)-6-{(5S,8S)-8-[(2S,5S)-5-(2-propyn-1-yl)tétrahydro-2-furanyl]-2,4,9,11-tétraoxadodécan-5-yl}tétrahydro-2H-pyrane [French] [ACD/IUPAC Name]
2H-Pyran, 6-[(1S,4S)-1,4-bis(methoxymethoxy)-4-[(2S,5S)-tetrahydro-5-(2-propyn-1-yl)-2-furanyl]butyl]-2-decyltetrahydro-3-(methoxymethoxy)-, (2S,3R,6S)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 612.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 87.6±3.0 kJ/mol
Flash Point: 220.3±31.4 °C
Index of Refraction: 1.484
Molar Refractivity: 157.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 25
#Rule of 5 Violations: 2
ACD/LogP: 5.53
ACD/LogD (pH 5.5): 6.09
ACD/BCF (pH 5.5): 24920.48
ACD/KOC (pH 5.5): 48824.81
ACD/LogD (pH 7.4): 6.09
ACD/BCF (pH 7.4): 24920.48
ACD/KOC (pH 7.4): 48824.81
Polar Surface Area: 74 Å2
Polarizability: 62.5±0.5 10-24cm3
Surface Tension: 39.5±5.0 dyne/cm
Molar Volume: 550.9±5.0 cm3

Click to predict properties on the Chemicalize site






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