ChemSpider 2D Image | {5-[(Dimethylamino)methyl]-2-furyl}[(3R,4R)-3-{[(2R,6S)-2,6-dimethyl-4-morpholinyl]methyl}-4-(hydroxymethyl)-1-pyrrolidinyl]methanone | C20H33N3O4

{5-[(Dimethylamino)methyl]-2-furyl}[(3R,4R)-3-{[(2R,6S)-2,6-dimethyl-4-morpholinyl]methyl}-4-(hydroxymethyl)-1-pyrrolidinyl]methanone

  • Molecular FormulaC20H33N3O4
  • Average mass379.494 Da
  • Monoisotopic mass379.247101 Da
  • ChemSpider ID29653157

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

{5-[(Dimethylamino)methyl]-2-furyl}[(3R,4R)-3-{[(2R,6S)-2,6-dimethyl-4-morpholinyl]methyl}-4-(hydroxymethyl)-1-pyrrolidinyl]methanon [German] [ACD/IUPAC Name]
{5-[(Dimethylamino)methyl]-2-furyl}[(3R,4R)-3-{[(2R,6S)-2,6-dimethyl-4-morpholinyl]methyl}-4-(hydroxymethyl)-1-pyrrolidinyl]methanone [ACD/IUPAC Name]
{5-[(Diméthylamino)méthyl]-2-furyl}[(3R,4R)-3-{[(2R,6S)-2,6-diméthyl-4-morpholinyl]méthyl}-4-(hydroxyméthyl)-1-pyrrolidinyl]méthanone [French] [ACD/IUPAC Name]
Methanone, [5-[(dimethylamino)methyl]-2-furanyl][(3R,4R)-3-[[(2R,6S)-2,6-dimethyl-4-morpholinyl]methyl]-4-(hydroxymethyl)-1-pyrrolidinyl]- [ACD/Index Name]
((3R*,4R*)-1-{5-[(dimethylamino)methyl]-2-furoyl}-4-{[(2R*,6S*)-2,6-dimethylmorpholin-4-yl]methyl}pyrrolidin-3-yl)methanol

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

Density: 1.1±0.1 g/cm3
Boiling Point: 510.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.3±3.0 kJ/mol
Flash Point: 262.8±30.1 °C
Index of Refraction: 1.528
Molar Refractivity: 103.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -0.28
ACD/LogD (pH 5.5): -2.71
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 16.82
Polar Surface Area: 69 Å2
Polarizability: 41.2±0.5 10-24cm3
Surface Tension: 41.0±3.0 dyne/cm
Molar Volume: 336.9±3.0 cm3

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