ChemSpider 2D Image | 6171779 | C24H42O21

6171779

  • Molecular FormulaC24H42O21
  • Average mass666.578 Da
  • Monoisotopic mass666.221863 Da
  • ChemSpider ID145907
  • defined stereocentres - 17 of 17 defined stereocentres


More details:






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

13133-07-8 [RN]
6171779
MFCD00191672
nystose
U0MS6Z5RBK
α-D-Glucopyranoside de β-D-fructofuranosyl-(2->1)-β-D-fructofuranosyl-(2->1)-β-D-fructofuranosyle [French] [ACD/IUPAC Name]
α-D-Glucopyranoside, O-β-D-fructofuranosyl-(2->1)-O-β-D-fructofuranosyl-(2->1)-β-D-fructofuranosyl [ACD/Index Name]
β-D-Fructofuranosyl-(2->1)-β-D-fructofuranosyl-(2->1)-β-D-fructofuranosyl α-D-glucopyranoside [ACD/IUPAC Name]
β-D-Fructofuranosyl-(2->1)-β-D-fructofuranosyl-(2->1)-β-D-fructofuranosyl-α-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Fruf-(2->1)-β-D-Fruf-(2->1)-β-D-Fruf-(2<--&gt;1)-α-D-Glup
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

56218_FLUKA [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.9±0.1 g/cm3
Boiling Point: 1075.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 178.4±6.0 kJ/mol
Flash Point: 604.3±34.3 °C
Index of Refraction: 1.694
Molar Refractivity: 138.4±0.4 cm3
#H bond acceptors: 21
#H bond donors: 14
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: -1.76
ACD/LogD (pH 5.5): -3.78
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.78
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 348 Å2
Polarizability: 54.9±0.5 10-24cm3
Surface Tension: 129.0±5.0 dyne/cm
Molar Volume: 360.4±5.0 cm3

Click to predict properties on the Chemicalize site






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