ChemSpider 2D Image | (2S)-3-{[6-O-(beta-D-Glucopyranosyl)-alpha-L-idopyranosyl]oxy}-1,2-propanediyl dioctadecanoate | C51H96O15

(2S)-3-{[6-O-(β-D-Glucopyranosyl)-α-L-idopyranosyl]oxy}-1,2-propanediyl dioctadecanoate

  • Molecular FormulaC51H96O15
  • Average mass949.299 Da
  • Monoisotopic mass948.674927 Da
  • ChemSpider ID35032066

  • defined stereocentres - 10 of 11 defined stereocentres

More details:

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

(2S)-3-{[6-O-(β-D-Glucopyranosyl)-α-L-idopyranosyl]oxy}-1,2-propandiyl-dioctadecanoat [German] [ACD/IUPAC Name]
(2S)-3-{[6-O-(β-D-Glucopyranosyl)-α-L-idopyranosyl]oxy}-1,2-propanediyl dioctadecanoate [ACD/IUPAC Name]
Dioctadécanoate de (2S)-3-{[6-O-(β-D-glucopyranosyl)-α-L-idopyranosyl]oxy}-1,2-propanediyle [French] [ACD/IUPAC Name]
Octadecanoic acid, (1S)-2-[(6-O-β-D-glucopyranosyl-α-L-idopyranosyl)oxy]-1-[[(1-oxooctadecyl)oxy]methyl]ethyl ester [ACD/Index Name]
(2S)-1-(octadecanoyloxy)-3-{[(2R,3R,4S,5S)-3,4,5-trihydroxy-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}propan-2-yl octadecanoate
[(2S)-1-octadecanoyloxy-3-[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropan-2-yl] octadecanoate
[(2S)-1-octadecanoyloxy-3-[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropan-2-yl] octadecanoic acid
[1-(octadecanoyloxymethyl)-2-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-ethyl] octadecanoate
[1-(octadecanoyloxymethyl)-2-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-ethyl] octadecanoic acid
1,2-Dioctadecanoyl-3-(galactosyl-B-1-6-galactosyl-B-1)-glycerol
More...

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

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

Density: 1.1±0.1 g/cm3
Boiling Point: 968.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 159.9±6.0 kJ/mol
Flash Point: 260.8±27.8 °C
Index of Refraction: 1.524
Molar Refractivity: 255.3±0.4 cm3
#H bond acceptors: 15
#H bond donors: 7
#Freely Rotating Bonds: 44
#Rule of 5 Violations: 4
ACD/LogP: 14.48
ACD/LogD (pH 5.5): 12.47
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 12.47
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: 52.4±5.0 dyne/cm
Molar Volume: 834.0±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement