ChemSpider 2D Image | (3S,6R)-6-[(1R)-1,2-Bis(benzyloxy)ethyl]-3-methoxy-1,4-dioxan-2-ol | C21H26O6

(3S,6R)-6-[(1R)-1,2-Bis(benzyloxy)ethyl]-3-methoxy-1,4-dioxan-2-ol

  • Molecular FormulaC21H26O6
  • Average mass374.427 Da
  • Monoisotopic mass374.172943 Da
  • ChemSpider ID114393754

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(3S,6R)-6-[(1R)-1,2-Bis(benzyloxy)ethyl]-3-methoxy-1,4-dioxan-2-ol [German] [ACD/IUPAC Name]
(3S,6R)-6-[(1R)-1,2-Bis(benzyloxy)ethyl]-3-methoxy-1,4-dioxan-2-ol [ACD/IUPAC Name]
(3S,6R)-6-[(1R)-1,2-Bis(benzyloxy)éthyl]-3-méthoxy-1,4-dioxan-2-ol [French] [ACD/IUPAC Name]
1,4-Dioxan-2-ol, 6-[(1R)-1,2-bis(phenylmethoxy)ethyl]-3-methoxy-, (3S,6R)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 524.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 84.1±3.0 kJ/mol
Flash Point: 271.2±30.1 °C
Index of Refraction: 1.569
Molar Refractivity: 101.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.78
ACD/LogD (pH 5.5): 3.11
ACD/BCF (pH 5.5): 134.88
ACD/KOC (pH 5.5): 1164.71
ACD/LogD (pH 7.4): 3.11
ACD/BCF (pH 7.4): 134.87
ACD/KOC (pH 7.4): 1164.66
Polar Surface Area: 66 Å2
Polarizability: 40.1±0.5 10-24cm3
Surface Tension: 49.5±5.0 dyne/cm
Molar Volume: 308.9±5.0 cm3

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