ChemSpider 2D Image | N-[(1,1-Dioxidotetrahydro-3-thiophenyl)carbamoyl]-D-valine | C10H18N2O5S

N-[(1,1-Dioxidotetrahydro-3-thiophenyl)carbamoyl]-D-valine

  • Molecular FormulaC10H18N2O5S
  • Average mass278.325 Da
  • Monoisotopic mass278.093628 Da
  • ChemSpider ID48876514

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

D-Valine, N-[[(tetrahydro-1,1-dioxido-3-thienyl)amino]carbonyl]- [ACD/Index Name]
N-[(1,1-Dioxidotetrahydro-3-thiophenyl)carbamoyl]-D-valin [German] [ACD/IUPAC Name]
N-[(1,1-Dioxidotetrahydro-3-thiophenyl)carbamoyl]-D-valine [ACD/IUPAC Name]
N-[(1,1-Dioxydotétrahydro-3-thiophényl)carbamoyl]-D-valine [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 624.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 100.9±6.0 kJ/mol
Flash Point: 331.5±31.5 °C
Index of Refraction: 1.541
Molar Refractivity: 64.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -1.26
ACD/LogD (pH 5.5): -3.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.63
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 121 Å2
Polarizability: 25.4±0.5 10-24cm3
Surface Tension: 56.2±5.0 dyne/cm
Molar Volume: 203.9±5.0 cm3

Click to predict properties on the Chemicalize site


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