ChemSpider 2D Image | N-(4-Hydroxy-1,1-dioxidotetrahydro-3-thiophenyl)-N-[(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]glycine | C16H15N3O10S

N-(4-Hydroxy-1,1-dioxidotetrahydro-3-thiophenyl)-N-[(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]glycine

  • Molecular FormulaC16H15N3O10S
  • Average mass441.369 Da
  • Monoisotopic mass441.047821 Da
  • ChemSpider ID120449538

More details:

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

Glycine, N-[2-(1,3-dihydro-4-nitro-1,3-dioxo-2H-isoindol-2-yl)acetyl]-N-(tetrahydro-4-hydroxy-1,1-dioxido-3-thienyl)- [ACD/Index Name]
N-(4-Hydroxy-1,1-dioxidotetrahydro-3-thiophenyl)-N-[(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]glycin [German] [ACD/IUPAC Name]
N-(4-Hydroxy-1,1-dioxidotetrahydro-3-thiophenyl)-N-[(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]glycine [ACD/IUPAC Name]
N-(4-Hydroxy-1,1-dioxydotétrahydro-3-thiophényl)-N-[2-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acétyl]glycine [French] [ACD/IUPAC Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 845.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 128.8±3.0 kJ/mol
Flash Point: 465.2±34.3 °C
Index of Refraction: 1.711
Molar Refractivity: 95.1±0.4 cm3
#H bond acceptors: 13
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: -0.79
ACD/LogD (pH 5.5): -3.46
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.67
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 204 Å2
Polarizability: 37.7±0.5 10-24cm3
Surface Tension: 108.0±5.0 dyne/cm
Molar Volume: 243.1±5.0 cm3

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