ChemSpider 2D Image | (8R,9R,10R)-8-[(1R)-1,2-Dihydroxyethyl]-12-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2,7-dioxa-12-azabicyclo[11.3.1]heptadeca-1(17),13,15-triene-9,10-diol | C24H37N3O6

(8R,9R,10R)-8-[(1R)-1,2-Dihydroxyethyl]-12-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2,7-dioxa-12-azabicyclo[11.3.1]heptadeca-1(17),13,15-triene-9,10-diol

  • Molecular FormulaC24H37N3O6
  • Average mass463.567 Da
  • Monoisotopic mass463.268250 Da
  • ChemSpider ID80830831

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(8R,9R,10R)-8-[(1R)-1,2-Dihydroxyethyl]-12-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2,7-dioxa-12-azabicyclo[11.3.1]heptadeca-1(17),13,15-trien-9,10-diol [German] [ACD/IUPAC Name]
(8R,9R,10R)-8-[(1R)-1,2-Dihydroxyethyl]-12-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2,7-dioxa-12-azabicyclo[11.3.1]heptadeca-1(17),13,15-triene-9,10-diol [ACD/IUPAC Name]
(8R,9R,10R)-8-[(1R)-1,2-Dihydroxyéthyl]-12-[(1-éthyl-3,5-diméthyl-1H-pyrazol-4-yl)méthyl]-2,7-dioxa-12-azabicyclo[11.3.1]heptadéca-1(17),13,15-triène-9,10-diol [French] [ACD/IUPAC Name]
2,7-Dioxa-12-azabicyclo[11.3.1]heptadeca-1(17),13,15-triene-9,10-diol, 8-[(1R)-1,2-dihydroxyethyl]-12-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-, (8R,9R,10R)- [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: 714.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.7±3.0 kJ/mol
Flash Point: 386.1±32.9 °C
Index of Refraction: 1.596
Molar Refractivity: 122.1±0.5 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.73
ACD/LogD (pH 5.5): 1.61
ACD/BCF (pH 5.5): 9.68
ACD/KOC (pH 5.5): 171.45
ACD/LogD (pH 7.4): 1.66
ACD/BCF (pH 7.4): 10.74
ACD/KOC (pH 7.4): 190.36
Polar Surface Area: 120 Å2
Polarizability: 48.4±0.5 10-24cm3
Surface Tension: 47.7±7.0 dyne/cm
Molar Volume: 358.8±7.0 cm3

Click to predict properties on the Chemicalize site


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