ChemSpider 2D Image | 1,5-Anhydro-2,4-dideoxy-3-O-methyl-2-({[5-(1,2-oxazol-3-yl)-2-thienyl]sulfonyl}amino)-D-threo-pentitol | C13H16N2O5S2

1,5-Anhydro-2,4-dideoxy-3-O-methyl-2-({[5-(1,2-oxazol-3-yl)-2-thienyl]sulfonyl}amino)-D-threo-pentitol

  • Molecular FormulaC13H16N2O5S2
  • Average mass344.406 Da
  • Monoisotopic mass344.050049 Da
  • ChemSpider ID35065549

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1,5-Anhydro-2,4-dideoxy-3-O-methyl-2-({[5-(1,2-oxazol-3-yl)-2-thienyl]sulfonyl}amino)-D-threo-pentitol [ACD/IUPAC Name]
1,5-Anhydro-2,4-didesoxy-3-O-methyl-2-({[5-(1,2-oxazol-3-yl)-2-thienyl]sulfonyl}amino)-D-threo-pentitol [German] [ACD/IUPAC Name]
1,5-Anhydro-2,4-didésoxy-3-O-méthyl-2-({[5-(1,2-oxazol-3-yl)-2-thiényl]sulfonyl}amino)-D-thréo-pentitol [French] [ACD/IUPAC Name]
D-threo-Pentitol, 1,5-anhydro-2,4-dideoxy-2-[[[5-(3-isoxazolyl)-2-thienyl]sulfonyl]amino]-3-O-methyl- [ACD/Index Name]
5-isoxazol-3-yl-N-[trans-4-methoxytetrahydro-2H-pyran-3-yl]thiophene-2-sulfonamide

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

Density: 1.5±0.1 g/cm3
Boiling Point: 551.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.2±3.0 kJ/mol
Flash Point: 287.4±32.9 °C
Index of Refraction: 1.609
Molar Refractivity: 81.5±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.03
ACD/LogD (pH 5.5): 1.02
ACD/BCF (pH 5.5): 3.52
ACD/KOC (pH 5.5): 85.72
ACD/LogD (pH 7.4): 1.02
ACD/BCF (pH 7.4): 3.49
ACD/KOC (pH 7.4): 84.88
Polar Surface Area: 127 Å2
Polarizability: 32.3±0.5 10-24cm3
Surface Tension: 64.4±5.0 dyne/cm
Molar Volume: 235.3±5.0 cm3

Click to predict properties on the Chemicalize site


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