ChemSpider 2D Image | 1-[3a-(Hydroxymethyl)-5-[2-(4-morpholinyl)-2-oxoethyl]hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-3-(1H-tetrazol-1-yl)-1-propanone | C17H27N7O4

1-[3a-(Hydroxymethyl)-5-[2-(4-morpholinyl)-2-oxoethyl]hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-3-(1H-tetrazol-1-yl)-1-propanone

  • Molecular FormulaC17H27N7O4
  • Average mass393.441 Da
  • Monoisotopic mass393.212463 Da
  • ChemSpider ID77493717

More details:

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

1-[3a-(Hydroxymethyl)-5-[2-(4-morpholinyl)-2-oxoethyl]hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-3-(1H-tetrazol-1-yl)-1-propanon [German] [ACD/IUPAC Name]
1-[3a-(Hydroxymethyl)-5-[2-(4-morpholinyl)-2-oxoethyl]hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-3-(1H-tetrazol-1-yl)-1-propanone [ACD/IUPAC Name]
1-[3a-(Hydroxyméthyl)-5-[2-(4-morpholinyl)-2-oxoéthyl]hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-3-(1H-tétrazol-1-yl)-1-propanone [French] [ACD/IUPAC Name]
1-Propanone, 1-[hexahydro-3a-(hydroxymethyl)-5-[2-(4-morpholinyl)-2-oxoethyl]pyrrolo[3,4-c]pyrrol-2(1H)-yl]-3-(1H-tetrazol-1-yl)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 656.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.6±3.0 kJ/mol
Flash Point: 350.8±34.3 °C
Index of Refraction: 1.722
Molar Refractivity: 100.2±0.5 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: -2.15
ACD/LogD (pH 5.5): -3.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.83
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.06
Polar Surface Area: 117 Å2
Polarizability: 39.7±0.5 10-24cm3
Surface Tension: 72.4±7.0 dyne/cm
Molar Volume: 253.1±7.0 cm3

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