ChemSpider 2D Image | (2R,3S,4R,5S,6R)-3,4,5-Trihydroxy-2-propoxy-6-({[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}methyl)tetrahydro-2H-pyran-3,4-diyl dioctadecanoate (non-preferred name ) | C51H96O15

(2R,3S,4R,5S,6R)-3,4,5-Trihydroxy-2-propoxy-6-({[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}methyl)tetrahydro-2H-pyran-3,4-diyl dioctadecanoate (non-preferred name )

  • Molecular FormulaC51H96O15
  • Average mass949.299 Da
  • Monoisotopic mass948.674927 Da
  • ChemSpider ID168374

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(2R,3S,4R,5S,6R)-3,4,5-Trihydroxy-2-propoxy-6-({[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}methyl)tetrahydro-2H-pyran-3,4-diyl dioctadecanoate (non-preferred name ) [ACD/IUPAC Name]
(2R,3S,4R,5S,6R)-3,4,5-Trihydroxy-2-propoxy-6-({[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}methyl)tetrahydro-2H-pyran-3,4-diyl-dioctadecanoat [German] [ACD/IUPAC Name]
Dioctadécanoate de (2R,3S,4R,5S,6R)-3,4,5-trihydroxy-2-propoxy-6-({[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxyméthyl)tétrahydro-2H-pyran-2-yl]oxy}méthyl)tétrahydro-2H-pyrane-3,4-diyle (non-preferred name) [French] [ACD/IUPAC Name]
1,2-Ddgg
1,2-Distearoyldigalactosylglyceride
1,2-Distearoyldiglactosylglycerol
57731-85-8 [RN]
β-D-Galactopyranoside, 2,3-bis((1-oxooctadecyl)oxy)propyl 6-O-α-D-galactopyranosyl-, (S)-

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

Density: 1.1±0.1 g/cm3
Boiling Point: 915.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 151.1±6.0 kJ/mol
Flash Point: 243.2±27.8 °C
Index of Refraction: 1.525
Molar Refractivity: 255.4±0.4 cm3
#H bond acceptors: 15
#H bond donors: 7
#Freely Rotating Bonds: 43
#Rule of 5 Violations: 4
ACD/LogP: 17.47
ACD/LogD (pH 5.5): 14.08
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 14.04
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 231 Å2
Polarizability: 101.2±0.5 10-24cm3
Surface Tension: 52.5±5.0 dyne/cm
Molar Volume: 833.0±5.0 cm3

Click to predict properties on the Chemicalize site


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