ChemSpider 2D Image | (13S)-13-[(1R)-1-Hydroxyethyl]-19-methyl-8-[(1-methyl-1H-imidazo[1,2-b]pyrazol-7-yl)carbonyl]-2-oxa-5,8,11,14-tetraazabicyclo[14.3.1]icosa-1(20),16,18-triene-6,12,15-trione | C25H31N7O6

(13S)-13-[(1R)-1-Hydroxyethyl]-19-methyl-8-[(1-methyl-1H-imidazo[1,2-b]pyrazol-7-yl)carbonyl]-2-oxa-5,8,11,14-tetraazabicyclo[14.3.1]icosa-1(20),16,18-triene-6,12,15-trione

  • Molecular FormulaC25H31N7O6
  • Average mass525.557 Da
  • Monoisotopic mass525.233582 Da
  • ChemSpider ID90304575

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(13S)-13-[(1R)-1-Hydroxyethyl]-19-methyl-8-[(1-methyl-1H-imidazo[1,2-b]pyrazol-7-yl)carbonyl]-2-oxa-5,8,11,14-tetraazabicyclo[14.3.1]icosa-1(20),16,18-trien-6,12,15-trion [German] [ACD/IUPAC Name]
(13S)-13-[(1R)-1-Hydroxyethyl]-19-methyl-8-[(1-methyl-1H-imidazo[1,2-b]pyrazol-7-yl)carbonyl]-2-oxa-5,8,11,14-tetraazabicyclo[14.3.1]icosa-1(20),16,18-triene-6,12,15-trione [ACD/IUPAC Name]
(13S)-13-[(1R)-1-Hydroxyéthyl]-19-méthyl-8-[(1-méthyl-1H-imidazo[1,2-b]pyrazol-7-yl)carbonyl]-2-oxa-5,8,11,14-tétraazabicyclo[14.3.1]icosa-1(20),16,18-triène-6,12,15-trione [French] [ACD/IUPAC Name]
2-Oxa-5,8,11,14-tetraazabicyclo[14.3.1]eicosa-1(20),16,18-triene-6,12,15-trione, 13-[(1R)-1-hydroxyethyl]-19-methyl-8-[(1-methyl-1H-imidazo[1,2-b]pyrazol-7-yl)carbonyl]-, (13S)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.680
Molar Refractivity: 136.7±0.5 cm3
#H bond acceptors: 13
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: -4.38
ACD/LogD (pH 5.5): -1.96
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.05
ACD/LogD (pH 7.4): -1.96
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.05
Polar Surface Area: 159 Å2
Polarizability: 54.2±0.5 10-24cm3
Surface Tension: 59.9±7.0 dyne/cm
Molar Volume: 361.9±7.0 cm3

Click to predict properties on the Chemicalize site


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