ChemSpider 2D Image | (2S,2'R,3'S,4'R,5S,5'S,6R,6'R)-6,6'-Bis(acetoxymethyl)-2'-cyano-3',4',5,5',6,6'-hexahydro-2H,2'H-2,3'-bipyran-4',5,5'-triyl triacetate | C23H29NO12

(2S,2'R,3'S,4'R,5S,5'S,6R,6'R)-6,6'-Bis(acetoxymethyl)-2'-cyano-3',4',5,5',6,6'-hexahydro-2H,2'H-2,3'-bipyran-4',5,5'-triyl triacetate

  • Molecular FormulaC23H29NO12
  • Average mass511.476 Da
  • Monoisotopic mass511.168976 Da
  • ChemSpider ID9267592

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(2S,2'R,3'S,4'R,5S,5'S,6R,6'R)-6,6'-Bis(acetoxymethyl)-2'-cyan-3',4',5,5',6,6'-hexahydro-2H,2'H-2,3'-bipyran-4',5,5'-triyl-triacetat [German] [ACD/IUPAC Name]
(2S,2'R,3'S,4'R,5S,5'S,6R,6'R)-6,6'-Bis(acetoxymethyl)-2'-cyano-3',4',5,5',6,6'-hexahydro-2H,2'H-2,3'-bipyran-4',5,5'-triyl triacetate [ACD/IUPAC Name]
Triacétate de (2S,2'R,3'S,4'R,5S,5'S,6R,6'R)-6,6'-bis(acétoxyméthyl)-2'-cyano-3',4',5,5',6,6'-hexahydro-2H,2'H-2,3'-bipyrane-4',5,5'-triyle [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 611.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 90.8±3.0 kJ/mol
Flash Point: 260.5±21.7 °C
Index of Refraction: 1.517
Molar Refractivity: 116.9±0.4 cm3
#H bond acceptors: 13
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 1.31
ACD/LogD (pH 5.5): 1.28
ACD/BCF (pH 5.5): 5.52
ACD/KOC (pH 5.5): 118.24
ACD/LogD (pH 7.4): 1.28
ACD/BCF (pH 7.4): 5.52
ACD/KOC (pH 7.4): 118.24
Polar Surface Area: 174 Å2
Polarizability: 46.3±0.5 10-24cm3
Surface Tension: 52.6±5.0 dyne/cm
Molar Volume: 386.7±5.0 cm3

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