ChemSpider 2D Image | (2S,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-Dihydroxy-2,5-bis(hydroxymethyl)tetrahydro-2-furanyl]-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2,3-diyl didodecanoate | C36H66O13

(2S,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-Dihydroxy-2,5-bis(hydroxymethyl)tetrahydro-2-furanyl]-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2,3-diyl didodecanoate

  • Molecular FormulaC36H66O13
  • Average mass706.901 Da
  • Monoisotopic mass706.450317 Da
  • ChemSpider ID4588438

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(2S,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-Dihydroxy-2,5-bis(hydroxymethyl)tetrahydro-2-furanyl]-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2,3-diyl didodecanoate [ACD/IUPAC Name]
(2S,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-Dihydroxy-2,5-bis(hydroxymethyl)tetrahydro-2-furanyl]-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2,3-diyl-didodecanoat [German] [ACD/IUPAC Name]
Didodécanoate de (2S,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxyméthyl)tétrahydro-2-furanyl]-4,5-dihydroxy-6-(hydroxyméthyl)tétrahydro-2H-pyrane-2,3-diyle [French] [ACD/IUPAC Name]
α-D-gluco-D-manno-6-Undeculopyranose, 2,5-anhydro-5-C-(hydroxymethyl)-6,7-bis-O-(1-oxododecyl)- [ACD/Index Name]
(2S,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-DIHYDROXY-2,5-BIS(HYDROXYMETHYL)OXOLAN-2-YL]-3-(DODECANOYLOXY)-4,5-DIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL DODECANOATE
25915-57-5 [RN]
sucrose dilaurate

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 800.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.4 mmHg at 25°C
Enthalpy of Vaporization: 132.6±6.0 kJ/mol
Flash Point: 235.2±27.8 °C
Index of Refraction: 1.541
Molar Refractivity: 182.5±0.4 cm3
#H bond acceptors: 13
#H bond donors: 7
#Freely Rotating Bonds: 28
#Rule of 5 Violations: 4
ACD/LogP: 11.45
ACD/LogD (pH 5.5): 9.83
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 5301940.50
ACD/LogD (pH 7.4): 9.83
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 5301818.50
Polar Surface Area: 213 Å2
Polarizability: 72.3±0.5 10-24cm3
Surface Tension: 57.9±5.0 dyne/cm
Molar Volume: 581.1±5.0 cm3

Click to predict properties on the Chemicalize site


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