ChemSpider 2D Image | Methyl 2,5-anhydro-3,4-dideoxy-3-({2-[4-(methoxycarbonyl)-1-piperazinyl]ethyl}sulfamoyl)-2-thiopentonate | C14H25N3O6S2

Methyl 2,5-anhydro-3,4-dideoxy-3-({2-[4-(methoxycarbonyl)-1-piperazinyl]ethyl}sulfamoyl)-2-thiopentonate

  • Molecular FormulaC14H25N3O6S2
  • Average mass395.495 Da
  • Monoisotopic mass395.118469 Da
  • ChemSpider ID111668122

More details:

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

2,5-Anhydro-3,4-didésoxy-3-({2-[4-(méthoxycarbonyl)-1-pipérazinyl]éthyl}sulfamoyl)-2-thiopentonate de méthyle [French] [ACD/IUPAC Name]
Methyl 2,5-anhydro-3,4-dideoxy-3-({2-[4-(methoxycarbonyl)-1-piperazinyl]ethyl}sulfamoyl)-2-thiopentonate [ACD/IUPAC Name]
Methyl-2,5-anhydro-3,4-didesoxy-3-({2-[4-(methoxycarbonyl)-1-piperazinyl]ethyl}sulfamoyl)-2-thiopentonat [German] [ACD/IUPAC Name]
Pentonic acid, 2,5-anhydro-3,4-dideoxy-3-[[[2-[4-(methoxycarbonyl)-1-piperazinyl]ethyl]amino]sulfonyl]-2-thio-, methyl ester [ACD/Index 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: 547.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.7±3.0 kJ/mol
Flash Point: 285.0±32.9 °C
Index of Refraction: 1.583
Molar Refractivity: 94.7±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: -0.56
ACD/LogD (pH 5.5): -0.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.18
ACD/LogD (pH 7.4): 0.00
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 23.63
Polar Surface Area: 139 Å2
Polarizability: 37.5±0.5 10-24cm3
Surface Tension: 60.9±5.0 dyne/cm
Molar Volume: 283.4±5.0 cm3

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