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Search term: VBHDIQISIYKKGY (Found by InChIKey (skeleton match))

ChemSpider 2D Image | 3-{[(1,1-Dioxidotetrahydro-2H-thiopyran-2-yl)carbonyl]amino}tetrahydro-3-furancarboxylic acid | C11H17NO6S

3-{[(1,1-Dioxidotetrahydro-2H-thiopyran-2-yl)carbonyl]amino}tetrahydro-3-furancarboxylic acid

  • Molecular FormulaC11H17NO6S
  • Average mass291.321 Da
  • Monoisotopic mass291.077667 Da
  • ChemSpider ID50508704

More details:






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

3-{[(1,1-Dioxidotetrahydro-2H-thiopyran-2-yl)carbonyl]amino}tetrahydro-3-furancarbonsäure [German] [ACD/IUPAC Name]
3-{[(1,1-Dioxidotetrahydro-2H-thiopyran-2-yl)carbonyl]amino}tetrahydro-3-furancarboxylic acid [ACD/IUPAC Name]
3-Furancarboxylic acid, tetrahydro-3-[[(tetrahydro-1,1-dioxido-2H-thiopyran-2-yl)carbonyl]amino]- [ACD/Index Name]
Acide 3-{[(1,1-dioxydotétrahydro-2H-thiopyrane-2-yl)carbonyl]amino}tétrahydro-3-furanecarboxylique [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 679.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.5 mmHg at 25°C
Enthalpy of Vaporization: 108.7±6.0 kJ/mol
Flash Point: 364.7±31.5 °C
Index of Refraction: 1.565
Molar Refractivity: 64.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -1.84
ACD/LogD (pH 5.5): -4.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 118 Å2
Polarizability: 25.7±0.5 10-24cm3
Surface Tension: 63.2±5.0 dyne/cm
Molar Volume: 199.1±5.0 cm3

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