ChemSpider 2D Image | (2R,3R,3aS,5aR,6S,7S,8R,9aR,10aS)-2,8,10a-Tris(hydroxymethyl)octahydro-6H-furo[3,2-c]pyrano[2,3-f][1,2,5]trioxepine-3,6,7-triol (non-preferred name) | C12H20O11

(2R,3R,3aS,5aR,6S,7S,8R,9aR,10aS)-2,8,10a-Tris(hydroxymethyl)octahydro-6H-furo[3,2-c]pyrano[2,3-f][1,2,5]trioxepine-3,6,7-triol (non-preferred name)

  • Molecular FormulaC12H20O11
  • Average mass340.281 Da
  • Monoisotopic mass340.100555 Da
  • ChemSpider ID61709866

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(2R,3R,3aS,5aR,6S,7S,8R,9aR,10aS)-2,8,10a-Tris(hydroxymethyl)octahydro-6H-furo[3,2-c]pyrano[2,3-f][1,2,5]trioxepin-3,6,7-triol (non-preferred name) [German] [ACD/IUPAC Name]
(2R,3R,3aS,5aR,6S,7S,8R,9aR,10aS)-2,8,10a-Tris(hydroxymethyl)octahydro-6H-furo[3,2-c]pyrano[2,3-f][1,2,5]trioxepine-3,6,7-triol (non-preferred name) [ACD/IUPAC Name]
(2R,3R,3aS,5aR,6S,7S,8R,9aR,10aS)-2,8,10a-Tris(hydroxyméthyl)octahydro-6H-furo[3,2-c]pyrano[2,3-f][1,2,5]trioxépine-3,6,7-triol (non-preferred name) [French] [ACD/IUPAC Name]
suc
Sucrose [Wiki]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 645.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.4 mmHg at 25°C
Enthalpy of Vaporization: 109.0±6.0 kJ/mol
Flash Point: 344.0±31.5 °C
Index of Refraction: 1.581
Molar Refractivity: 69.0±0.3 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 0.40
ACD/LogD (pH 5.5): -0.56
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 11.75
ACD/LogD (pH 7.4): -0.56
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 11.75
Polar Surface Area: 168 Å2
Polarizability: 27.4±0.5 10-24cm3
Surface Tension: 84.3±3.0 dyne/cm
Molar Volume: 207.0±3.0 cm3

Click to predict properties on the Chemicalize site


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