ChemSpider 2D Image | (3E,4R,5R)-4-Hydroxy-5-[(1R)-1-hydroxyethyl]-3-[(2S)-2-hydroxypropylidene]dihydro-2(3H)-furanone (non-preferred name) | C9H14O5

(3E,4R,5R)-4-Hydroxy-5-[(1R)-1-hydroxyethyl]-3-[(2S)-2-hydroxypropylidene]dihydro-2(3H)-furanone (non-preferred name)

  • Molecular FormulaC9H14O5
  • Average mass202.204 Da
  • Monoisotopic mass202.084122 Da
  • ChemSpider ID40256807

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(3E,4R,5R)-4-Hydroxy-5-[(1R)-1-hydroxyethyl]-3-[(2S)-2-hydroxypropyliden]dihydro-2(3H)-furanon (non-preferred name) [German] [ACD/IUPAC Name]
(3E,4R,5R)-4-Hydroxy-5-[(1R)-1-hydroxyethyl]-3-[(2S)-2-hydroxypropylidene]dihydro-2(3H)-furanone (non-preferred name) [ACD/IUPAC Name]
(3E,4R,5R)-4-Hydroxy-5-[(1R)-1-hydroxyéthyl]-3-[(2S)-2-hydroxypropylidène]dihydro-2(3H)-furanone (non-preferred name) [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 463.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 83.5±6.0 kJ/mol
Flash Point: 189.1±22.2 °C
Index of Refraction: 1.637
Molar Refractivity: 49.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -1.56
ACD/LogD (pH 5.5): -1.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.86
ACD/LogD (pH 7.4): -1.27
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.86
Polar Surface Area: 87 Å2
Polarizability: 19.6±0.5 10-24cm3
Surface Tension: 80.5±3.0 dyne/cm
Molar Volume: 138.0±3.0 cm3

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