ChemSpider 2D Image | 6-stearatesucrose | C30H56O12

6-stearatesucrose

  • Molecular FormulaC30H56O12
  • Average mass608.758 Da
  • Monoisotopic mass608.377197 Da
  • ChemSpider ID8479787

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

13039-42-4 [RN]
6-O-Stearoyl-α-D-glucopyranoside de β-D-fructofuranosyle [French] [ACD/IUPAC Name]
6-stearatesucrose
α-D-Glucopyranoside, β-D-fructofuranosyl 6-O-(1-oxooctadecyl)- [ACD/Index Name]
β-D-Fructofuranosyl 6-O-stearoyl-α-D-glucopyranoside [ACD/IUPAC Name]
β-D-Fructofuranosyl-6-O-stearoyl-α-D-glucopyranosid [German] [ACD/IUPAC Name]
[(2R,3S,4S,5R,6R)-6-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl octadecanoate
[(2R,3S,4S,5R,6R)-6-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxy-oxan-2-yl]methyl octadecanoate
[(2R,3S,4S,5R,6R)-6-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)tetrahydrofuran-2-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-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]oxyoxolan-2-yl]methyl octadecanoate
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

114S1GA41U [DBID]
UNII:114S1GA41U [DBID]
UNII-114S1GA41U [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: 8.84
ACD/LogD (pH 5.5): 6.23
ACD/BCF (pH 5.5): 31765.17
ACD/KOC (pH 5.5): 58087.27
ACD/LogD (pH 7.4): 6.23
ACD/BCF (pH 7.4): 31764.68
ACD/KOC (pH 7.4): 58086.38
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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