ChemSpider 2D Image | 1-palmitatesucrose | C28H52O12

1-palmitatesucrose

  • Molecular FormulaC28H52O12
  • Average mass580.705 Da
  • Monoisotopic mass580.345886 Da
  • ChemSpider ID8005490

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

1-O-Palmitoyl-β-D-fructofuranosyl α-D-glucopyranoside [ACD/IUPAC Name]
1-O-Palmitoyl-β-D-fructofuranosyl-α-D-glucopyranosid [German] [ACD/IUPAC Name]
1-palmitatesucrose
854374-08-6 [RN]
α-D-Glucopyranoside de 1-O-palmitoyl-β-D-fructofuranosyle [French] [ACD/IUPAC Name]
α-D-Glucopyranoside, 1-O-(1-oxohexadecyl)-β-D-fructofuranosyl [ACD/Index Name]
[(2R,3S,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-yl]methyl octadecanoate
[(2R,3S,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-oxolan-2-yl]methyl octadecanoate
[(2R,3S,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydrofuran-2-yl]methyl octadecanoate
[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-yl]methyl hexadecanoate
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

3JE84Z403I [DBID]
UNII:3JE84Z403I [DBID]
UNII-3JE84Z403I [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 748.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.7 mmHg at 25°C
Enthalpy of Vaporization: 124.5±6.0 kJ/mol
Flash Point: 235.0±26.4 °C
Index of Refraction: 1.550
Molar Refractivity: 145.3±0.4 cm3
#H bond acceptors: 12
#H bond donors: 7
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 3
ACD/LogP: 4.85
ACD/LogD (pH 5.5): 3.74
ACD/BCF (pH 5.5): 412.83
ACD/KOC (pH 5.5): 2594.02
ACD/LogD (pH 7.4): 3.74
ACD/BCF (pH 7.4): 412.82
ACD/KOC (pH 7.4): 2593.98
Polar Surface Area: 196 Å2
Polarizability: 57.6±0.5 10-24cm3
Surface Tension: 61.6±5.0 dyne/cm
Molar Volume: 456.3±5.0 cm3

Click to predict properties on the Chemicalize site


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