ChemSpider 2D Image | N-{[(1r,3R,4S)-3,4-Dihydroxy-1-(methoxymethyl)cyclopentyl]methyl}-3,5-dimethyl-1,2-oxazole-4-sulfonamide | C13H22N2O6S

N-{[(1r,3R,4S)-3,4-Dihydroxy-1-(methoxymethyl)cyclopentyl]methyl}-3,5-dimethyl-1,2-oxazole-4-sulfonamide

  • Molecular FormulaC13H22N2O6S
  • Average mass334.389 Da
  • Monoisotopic mass334.119843 Da
  • ChemSpider ID29855812

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

4-Isoxazolesulfonamide, N-[[(1α,3α,4α)-3,4-dihydroxy-1-(methoxymethyl)cyclopentyl]methyl]-3,5-dimethyl- [ACD/Index Name]
N-{[(1r,3R,4S)-3,4-Dihydroxy-1-(methoxymethyl)cyclopentyl]methyl}-3,5-dimethyl-1,2-oxazol-4-sulfonamid [German] [ACD/IUPAC Name]
N-{[(1r,3R,4S)-3,4-Dihydroxy-1-(methoxymethyl)cyclopentyl]methyl}-3,5-dimethyl-1,2-oxazole-4-sulfonamide [ACD/IUPAC Name]
N-{[(1r,3R,4S)-3,4-Dihydroxy-1-(méthoxyméthyl)cyclopentyl]méthyl}-3,5-diméthyl-1,2-oxazole-4-sulfonamide [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 509.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.1±3.0 kJ/mol
Flash Point: 261.8±32.9 °C
Index of Refraction: 1.542
Molar Refractivity: 78.5±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -1.30
ACD/LogD (pH 5.5): -0.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 19.13
ACD/LogD (pH 7.4): -0.18
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 19.08
Polar Surface Area: 130 Å2
Polarizability: 31.1±0.5 10-24cm3
Surface Tension: 53.9±3.0 dyne/cm
Molar Volume: 249.7±3.0 cm3

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