ChemSpider 2D Image | (1S,4R,5S)-1-(beta-D-Glucopyranosyloxy)-4,5-dihydroxy-2-cyclopentene-1-carbonitrile | C12H17NO8

(1S,4R,5S)-1-(β-D-Glucopyranosyloxy)-4,5-dihydroxy-2-cyclopentene-1-carbonitrile

  • Molecular FormulaC12H17NO8
  • Average mass303.265 Da
  • Monoisotopic mass303.095428 Da
  • ChemSpider ID62619528

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(1S,4R,5S)-1-(β-D-Glucopyranosyloxy)-4,5-dihydroxy-2-cyclopenten-1-carbonitril [German] [ACD/IUPAC Name]
(1S,4R,5S)-1-(β-D-Glucopyranosyloxy)-4,5-dihydroxy-2-cyclopentene-1-carbonitrile [ACD/IUPAC Name]
(1S,4R,5S)-1-(β-D-Glucopyranosyloxy)-4,5-dihydroxy-2-cyclopentène-1-carbonitrile [French] [ACD/IUPAC Name]
2-Cyclopentene-1-carbonitrile, 1-(β-D-glucopyranosyloxy)-4,5-dihydroxy-, (1S,4R,5S)- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 637.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.3 mmHg at 25°C
Enthalpy of Vaporization: 107.9±6.0 kJ/mol
Flash Point: 339.2±31.5 °C
Index of Refraction: 1.661
Molar Refractivity: 65.9±0.4 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: -3.74
ACD/LogD (pH 5.5): -3.38
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.38
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 164 Å2
Polarizability: 26.1±0.5 10-24cm3
Surface Tension: 106.9±5.0 dyne/cm
Molar Volume: 178.3±5.0 cm3

Click to predict properties on the Chemicalize site


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