ChemSpider 2D Image | {2-Oxo-8-[4-(1H-1,2,4-triazol-1-yl)butanoyl]-1-oxa-3,8-diazaspiro[4.5]dec-3-yl}acetic acid | C15H21N5O5

{2-Oxo-8-[4-(1H-1,2,4-triazol-1-yl)butanoyl]-1-oxa-3,8-diazaspiro[4.5]dec-3-yl}acetic acid

  • Molecular FormulaC15H21N5O5
  • Average mass351.358 Da
  • Monoisotopic mass351.154266 Da
  • ChemSpider ID29455356

More details:

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

{2-Oxo-8-[4-(1H-1,2,4-triazol-1-yl)butanoyl]-1-oxa-3,8-diazaspiro[4.5]dec-3-yl}acetic acid [ACD/IUPAC Name]
{2-Oxo-8-[4-(1H-1,2,4-triazol-1-yl)butanoyl]-1-oxa-3,8-diazaspiro[4.5]dec-3-yl}essigsäure [German] [ACD/IUPAC Name]
1-Oxa-3,8-diazaspiro[4.5]decane-3-acetic acid, 2-oxo-8-[1-oxo-4-(1H-1,2,4-triazol-1-yl)butyl]- [ACD/Index Name]
Acide {2-oxo-8-[4-(1H-1,2,4-triazol-1-yl)butanoyl]-1-oxa-3,8-diazaspiro[4.5]déc-3-yl}acétique [French] [ACD/IUPAC 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: 744.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.9±3.0 kJ/mol
Flash Point: 404.0±35.7 °C
Index of Refraction: 1.679
Molar Refractivity: 87.3±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: -0.78
ACD/LogD (pH 5.5): -1.94
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.54
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 118 Å2
Polarizability: 34.6±0.5 10-24cm3
Surface Tension: 69.4±7.0 dyne/cm
Molar Volume: 231.3±7.0 cm3

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