ChemSpider 2D Image | (1S)-1,5-Anhydro-2,3,6-trideoxy-1-{[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl}-6-[(methylsulfonyl)amino]-D-erythro-hexitol | C13H22N2O6S

(1S)-1,5-Anhydro-2,3,6-trideoxy-1-{[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl}-6-[(methylsulfonyl)amino]-D-erythro-hexitol

  • Molecular FormulaC13H22N2O6S
  • Average mass334.389 Da
  • Monoisotopic mass334.119843 Da
  • ChemSpider ID29856549

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1S)-1,5-Anhydro-2,3,6-trideoxy-1-{[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl}-6-[(methylsulfonyl)amino]-D-erythro-hexitol [ACD/IUPAC Name]
(1S)-1,5-Anhydro-2,3,6-tridesoxy-1-{[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl}-6-[(methylsulfonyl)amino]-D-erythro-hexitol [German] [ACD/IUPAC Name]
(1S)-1,5-Anhydro-2,3,6-tridésoxy-1-{[5-(méthoxyméthyl)-1,2-oxazol-3-yl]méthyl}-6-[(méthylsulfonyl)amino]-D-érythro-hexitol [French] [ACD/IUPAC Name]
D-arabino-Heptitol, 2,6-anhydro-1,3,4,7-tetradeoxy-1-[5-(methoxymethyl)-3-isoxazolyl]-7-[(methylsulfonyl)amino]- [ACD/Index 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: 523.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.9±3.0 kJ/mol
Flash Point: 270.4±32.9 °C
Index of Refraction: 1.529
Molar Refractivity: 78.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: -1.79
ACD/LogD (pH 5.5): -0.32
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 15.86
ACD/LogD (pH 7.4): -0.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 15.85
Polar Surface Area: 119 Å2
Polarizability: 31.2±0.5 10-24cm3
Surface Tension: 50.9±3.0 dyne/cm
Molar Volume: 255.4±3.0 cm3

Click to predict properties on the Chemicalize site


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