ChemSpider 2D Image | SUCROSE 2,3,3',4',6-PENTAACETATE | C22H32O16

SUCROSE 2,3,3',4',6-PENTAACETATE

  • Molecular FormulaC22H32O16
  • Average mass552.480 Da
  • Monoisotopic mass552.169006 Da
  • ChemSpider ID52085556

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

2,3,6-Tri-O-acétyl-α-D-glucopyranoside de 3,4-di-O-acétyl-β-D-fructofuranosyle [French] [ACD/IUPAC Name]
3,4-Di-O-acetyl-β-D-fructofuranosyl 2,3,6-tri-O-acetyl-α-D-glucopyranoside [ACD/IUPAC Name]
3,4-Di-O-acetyl-β-D-fructofuranosyl-2,3,6-tri-O-acetyl-α-D-glucopyranosid [German] [ACD/IUPAC Name]
35867-25-5 [RN]
SUCROSE 2,3,3',4',6-PENTAACETATE
α-D-Glucopyranoside, 3,4-di-O-acetyl-β-D-fructofuranosyl, 2,3,6-triacetate [ACD/Index Name]
2,3,3�?4�?6-Penta-O-acetylsucrose
3,4,2',3',6'-Penta-O-acetylsucrose

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

98KX3NW9C5 [DBID]
UNII:98KX3NW9C5 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 661.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.5 mmHg at 25°C
Enthalpy of Vaporization: 111.5±6.0 kJ/mol
Flash Point: 217.0±25.0 °C
Index of Refraction: 1.534
Molar Refractivity: 118.8±0.4 cm3
#H bond acceptors: 16
#H bond donors: 3
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 0.98
ACD/LogD (pH 5.5): 0.47
ACD/BCF (pH 5.5): 1.33
ACD/KOC (pH 5.5): 42.75
ACD/LogD (pH 7.4): 0.47
ACD/BCF (pH 7.4): 1.33
ACD/KOC (pH 7.4): 42.75
Polar Surface Area: 220 Å2
Polarizability: 47.1±0.5 10-24cm3
Surface Tension: 62.1±5.0 dyne/cm
Molar Volume: 381.9±5.0 cm3

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