ChemSpider 2D Image | 6'-stearatesucrose | C30H56O12

6'-stearatesucrose

  • Molecular FormulaC30H56O12
  • Average mass608.758 Da
  • Monoisotopic mass608.377197 Da
  • ChemSpider ID8230008

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

136152-87-9 [RN]
6-O-Stearoyl-β-D-fructofuranosyl α-D-glucopyranoside [ACD/IUPAC Name]
6-O-Stearoyl-β-D-fructofuranosyl-α-D-glucopyranosid [German] [ACD/IUPAC Name]
6'-stearatesucrose
α-D-Glucopyranoside de 6-O-stearoyl-β-D-fructofuranosyle [French] [ACD/IUPAC Name]
α-D-Glucopyranoside, 6-O-(1-oxooctadecyl)-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
246-705-9 [EINECS]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

J7MT237SNW [DBID]
UNII:J7MT237SNW [DBID]
UNII-J7MT237SNW [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 763.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.9 mmHg at 25°C
Enthalpy of Vaporization: 126.8±6.0 kJ/mol
Flash Point: 235.6±26.4 °C
Index of Refraction: 1.546
Molar Refractivity: 154.5±0.4 cm3
#H bond acceptors: 12
#H bond donors: 7
#Freely Rotating Bonds: 23
#Rule of 5 Violations: 4
ACD/LogP: 5.73
ACD/LogD (pH 5.5): 4.52
ACD/BCF (pH 5.5): 1593.69
ACD/KOC (pH 5.5): 6821.48
ACD/LogD (pH 7.4): 4.52
ACD/BCF (pH 7.4): 1593.67
ACD/KOC (pH 7.4): 6821.38
Polar Surface Area: 196 Å2
Polarizability: 61.3±0.5 10-24cm3
Surface Tension: 59.9±5.0 dyne/cm
Molar Volume: 488.4±5.0 cm3

Click to predict properties on the Chemicalize site


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