ChemSpider 2D Image | (1S)-1,4-Anhydro-1-(2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl)pentitol | C9H11NO6

(1S)-1,4-Anhydro-1-(2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl)pentitol

  • Molecular FormulaC9H11NO6
  • Average mass229.187 Da
  • Monoisotopic mass229.058640 Da
  • ChemSpider ID80564698

  • defined stereocentres - 1 of 4 defined stereocentres

More details:

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

(1S)-1,4-Anhydro-1-(2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl)pentitol [German] [ACD/IUPAC Name]
(1S)-1,4-Anhydro-1-(2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl)pentitol [ACD/IUPAC Name]
(1S)-1,4-Anhydro-1-(2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl)pentitol [French] [ACD/IUPAC Name]
Pentitol, 1,4-anhydro-1-C-(2,5-dihydro-2,5-dioxo-1H-pyrrol-3-yl)-, (1S)- [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: 562.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 97.1±6.0 kJ/mol
Flash Point: 293.9±30.1 °C
Index of Refraction: 1.649
Molar Refractivity: 49.2±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.05
ACD/LogD (pH 5.5): -0.83
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.36
ACD/LogD (pH 7.4): -0.96
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.26
Polar Surface Area: 116 Å2
Polarizability: 19.5±0.5 10-24cm3
Surface Tension: 91.2±3.0 dyne/cm
Molar Volume: 135.0±3.0 cm3

Click to predict properties on the Chemicalize site


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