ChemSpider 2D Image | (4R,5R,6R)-6-[(1R)-1,2-Dihydroxyethyl]-2-[(1-ethyl-1H-imidazol-2-yl)methyl]-7,14-dioxa-2-azabicyclo[13.3.1]nonadeca-1(19),15,17-triene-4,5-diol | C24H37N3O6

(4R,5R,6R)-6-[(1R)-1,2-Dihydroxyethyl]-2-[(1-ethyl-1H-imidazol-2-yl)methyl]-7,14-dioxa-2-azabicyclo[13.3.1]nonadeca-1(19),15,17-triene-4,5-diol

  • Molecular FormulaC24H37N3O6
  • Average mass463.567 Da
  • Monoisotopic mass463.268250 Da
  • ChemSpider ID80830820

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(4R,5R,6R)-6-[(1R)-1,2-Dihydroxyethyl]-2-[(1-ethyl-1H-imidazol-2-yl)methyl]-7,14-dioxa-2-azabicyclo[13.3.1]nonadeca-1(19),15,17-trien-4,5-diol [German] [ACD/IUPAC Name]
(4R,5R,6R)-6-[(1R)-1,2-Dihydroxyethyl]-2-[(1-ethyl-1H-imidazol-2-yl)methyl]-7,14-dioxa-2-azabicyclo[13.3.1]nonadeca-1(19),15,17-triene-4,5-diol [ACD/IUPAC Name]
(4R,5R,6R)-6-[(1R)-1,2-Dihydroxyéthyl]-2-[(1-éthyl-1H-imidazol-2-yl)méthyl]-7,14-dioxa-2-azabicyclo[13.3.1]nonadéca-1(19),15,17-triène-4,5-diol [French] [ACD/IUPAC Name]
7,14-Dioxa-2-azabicyclo[13.3.1]nonadeca-1(19),15,17-triene-4,5-diol, 6-[(1R)-1,2-dihydroxyethyl]-2-[(1-ethyl-1H-imidazol-2-yl)methyl]-, (4R,5R,6R)- [ACD/Index 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: 736.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.7±3.0 kJ/mol
Flash Point: 398.9±32.9 °C
Index of Refraction: 1.595
Molar Refractivity: 122.5±0.5 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.72
ACD/LogD (pH 5.5): -0.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.08
ACD/LogD (pH 7.4): 1.14
ACD/BCF (pH 7.4): 3.89
ACD/KOC (pH 7.4): 80.71
Polar Surface Area: 120 Å2
Polarizability: 48.6±0.5 10-24cm3
Surface Tension: 49.9±7.0 dyne/cm
Molar Volume: 360.6±7.0 cm3

Click to predict properties on the Chemicalize site


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