ChemSpider 2D Image | MFCD25370362 | C11H17NO6S

MFCD25370362

  • Molecular FormulaC11H17NO6S
  • Average mass291.321 Da
  • Monoisotopic mass291.077667 Da
  • ChemSpider ID58824036

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

1,4:3,6-Dianhydro-2-S-(2,2-dimethylpropanoyl)-5-O-nitro-2-thio-D-glucitol [German] [ACD/IUPAC Name]
1,4:3,6-Dianhydro-2-S-(2,2-dimethylpropanoyl)-5-O-nitro-2-thio-D-glucitol [ACD/IUPAC Name]
1,4:3,6-Dianhydro-2-S-(2,2-diméthylpropanoyl)-5-O-nitro-2-thio-D-glucitol [French] [ACD/IUPAC Name]
D-Glucitol, 1,4:3,6-dianhydro-2-thio-, 2-(2,2-dimethylpropanoate) 5-nitrate [ACD/Index Name]
MFCD25370362
S-((3S,3aS,6R,6aS)-6-(Nitrooxy)hexahydrofuro[3,2-b]furan-3-yl) 2,2-dimethylpropanethioate

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

Density: 1.3±0.1 g/cm3
Boiling Point: 399.5±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.0±3.0 kJ/mol
Flash Point: 195.4±27.9 °C
Index of Refraction: 1.539
Molar Refractivity: 68.2±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.16
ACD/LogD (pH 5.5): 2.29
ACD/BCF (pH 5.5): 32.26
ACD/KOC (pH 5.5): 418.30
ACD/LogD (pH 7.4): 2.29
ACD/BCF (pH 7.4): 32.26
ACD/KOC (pH 7.4): 418.30
Polar Surface Area: 116 Å2
Polarizability: 27.0±0.5 10-24cm3
Surface Tension: 49.5±5.0 dyne/cm
Molar Volume: 217.6±5.0 cm3

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