ChemSpider 2D Image | 2-(3-Cyclopropyl-1H-pyrazol-1-yl)-1-[(3R,4R,5R,9R,10R)-3,4,9,10-tetrahydroxy-5-methoxy-1-oxa-7-azacyclotridecan-7-yl]ethanone | C20H33N3O7

2-(3-Cyclopropyl-1H-pyrazol-1-yl)-1-[(3R,4R,5R,9R,10R)-3,4,9,10-tetrahydroxy-5-methoxy-1-oxa-7-azacyclotridecan-7-yl]ethanone

  • Molecular FormulaC20H33N3O7
  • Average mass427.492 Da
  • Monoisotopic mass427.231842 Da
  • ChemSpider ID80830905

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

2-(3-Cyclopropyl-1H-pyrazol-1-yl)-1-[(3R,4R,5R,9R,10R)-3,4,9,10-tetrahydroxy-5-methoxy-1-oxa-7-azacyclotridecan-7-yl]ethanon [German] [ACD/IUPAC Name]
2-(3-Cyclopropyl-1H-pyrazol-1-yl)-1-[(3R,4R,5R,9R,10R)-3,4,9,10-tetrahydroxy-5-methoxy-1-oxa-7-azacyclotridecan-7-yl]ethanone [ACD/IUPAC Name]
2-(3-Cyclopropyl-1H-pyrazol-1-yl)-1-[(3R,4R,5R,9R,10R)-3,4,9,10-tétrahydroxy-5-méthoxy-1-oxa-7-azacyclotridécan-7-yl]éthanone [French] [ACD/IUPAC Name]
Ethanone, 2-(3-cyclopropyl-1H-pyrazol-1-yl)-1-[(3R,4R,5R,9R,10R)-3,4,9,10-tetrahydroxy-5-methoxy-1-oxa-7-azacyclotridec-7-yl]- [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: 673.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.9±3.0 kJ/mol
Flash Point: 361.2±31.5 °C
Index of Refraction: 1.633
Molar Refractivity: 104.9±0.5 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: -0.95
ACD/LogD (pH 5.5): -0.49
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 12.96
ACD/LogD (pH 7.4): -0.49
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 12.97
Polar Surface Area: 138 Å2
Polarizability: 41.6±0.5 10-24cm3
Surface Tension: 57.7±7.0 dyne/cm
Molar Volume: 293.6±7.0 cm3

Click to predict properties on the Chemicalize site


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