ChemSpider 2D Image | (1R)-1,4-Anhydro-2-deoxy-1-[6-(dimethylamino)-3-pyridinyl]-D-erythro-pentitol | C12H18N2O3

(1R)-1,4-Anhydro-2-deoxy-1-[6-(dimethylamino)-3-pyridinyl]-D-erythro-pentitol

  • Molecular FormulaC12H18N2O3
  • Average mass238.283 Da
  • Monoisotopic mass238.131744 Da
  • ChemSpider ID30658839

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1R)-1,4-Anhydro-2-deoxy-1-[6-(dimethylamino)-3-pyridinyl]-D-erythro-pentitol [ACD/IUPAC Name]
(1R)-1,4-Anhydro-2-desoxy-1-[6-(dimethylamino)-3-pyridinyl]-D-erythro-pentitol [German] [ACD/IUPAC Name]
(1R)-1,4-Anhydro-2-désoxy-1-[6-(diméthylamino)-3-pyridinyl]-D-érythro-pentitol [French] [ACD/IUPAC Name]
D-erythro-Pentitol, 1,4-anhydro-2-deoxy-1-C-[6-(dimethylamino)-3-pyridinyl]-, (1R)- [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: 457.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.6±3.0 kJ/mol
Flash Point: 230.3±28.7 °C
Index of Refraction: 1.594
Molar Refractivity: 64.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.25
ACD/LogD (pH 5.5): 0.00
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 15.82
ACD/LogD (pH 7.4): 0.38
ACD/BCF (pH 7.4): 1.14
ACD/KOC (pH 7.4): 38.09
Polar Surface Area: 66 Å2
Polarizability: 25.7±0.5 10-24cm3
Surface Tension: 56.2±3.0 dyne/cm
Molar Volume: 190.7±3.0 cm3

Click to predict properties on the Chemicalize site


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