ChemSpider 2D Image | (2R,4aR,5aR,6S,7S,8R,9S,9aR,10aS)-2-Methyl-6,8-bis(methylamino)hexahydro-2H-pyrano[2,3-b][1,4]benzodioxine-4,4,4a,7,9(3H,10aH)-pentol | C14H26N2O8

(2R,4aR,5aR,6S,7S,8R,9S,9aR,10aS)-2-Methyl-6,8-bis(methylamino)hexahydro-2H-pyrano[2,3-b][1,4]benzodioxine-4,4,4a,7,9(3H,10aH)-pentol

  • Molecular FormulaC14H26N2O8
  • Average mass350.365 Da
  • Monoisotopic mass350.168915 Da
  • ChemSpider ID25059185

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(2R,4aR,5aR,6S,7S,8R,9S,9aR,10aS)-2-Methyl-6,8-bis(methylamino)hexahydro-2H-pyrano[2,3-b][1,4]benzodioxin-4,4,4a,7,9(3H,10aH)-pentol [German] [ACD/IUPAC Name]
(2R,4aR,5aR,6S,7S,8R,9S,9aR,10aS)-2-Methyl-6,8-bis(methylamino)hexahydro-2H-pyrano[2,3-b][1,4]benzodioxine-4,4,4a,7,9(3H,10aH)-pentol [ACD/IUPAC Name]
(2R,4aR,5aR,6S,7S,8R,9S,9aR,10aS)-2-Méthyl-6,8-bis(méthylamino)hexahydro-2H-pyrano[2,3-b][1,4]benzodioxine-4,4,4a,7,9(3H,10aH)-pentol [French] [ACD/IUPAC Name]
2H-Pyrano[2,3-b][1,4]benzodioxin-4,4,4a,7,9(3H,10aH)-pentol, hexahydro-2-methyl-6,8-bis(methylamino)-, (2R,4aR,5aR,6S,7S,8R,9S,9aR,10aS)- [ACD/Index Name]
SMI

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

Density: 1.5±0.1 g/cm3
Boiling Point: 636.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.3 mmHg at 25°C
Enthalpy of Vaporization: 107.7±6.0 kJ/mol
Flash Point: 338.7±31.5 °C
Index of Refraction: 1.620
Molar Refractivity: 80.8±0.4 cm3
#H bond acceptors: 10
#H bond donors: 7
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 2.34
ACD/LogD (pH 5.5): -4.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.82
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 153 Å2
Polarizability: 32.0±0.5 10-24cm3
Surface Tension: 77.1±5.0 dyne/cm
Molar Volume: 229.9±5.0 cm3

Click to predict properties on the Chemicalize site


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