ChemSpider 2D Image | (3R,4R,5R)-3-Chloro-4-hydroxy-5-(hydroxymethyl)-3-methyldihydro-2(3H)-furanone (non-preferred name) | C6H9ClO4

(3R,4R,5R)-3-Chloro-4-hydroxy-5-(hydroxymethyl)-3-methyldihydro-2(3H)-furanone (non-preferred name)

  • Molecular FormulaC6H9ClO4
  • Average mass180.586 Da
  • Monoisotopic mass180.018936 Da
  • ChemSpider ID58791930

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3R,4R,5R)-3-Chlor-4-hydroxy-5-(hydroxymethyl)-3-methyldihydro-2(3H)-furanon (non-preferred name) [German] [ACD/IUPAC Name]
(3R,4R,5R)-3-Chloro-4-hydroxy-5-(hydroxymethyl)-3-methyldihydro-2(3H)-furanone (non-preferred name) [ACD/IUPAC Name]
(3R,4R,5R)-3-Chloro-4-hydroxy-5-(hydroxyméthyl)-3-méthyldihydro-2(3H)-furanone (non-preferred name) [French] [ACD/IUPAC Name]
(3R,4R,5R)-3-chloro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one
1496551-64-4 [RN]
MFCD23380681

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

Density: 1.5±0.1 g/cm3
Boiling Point: 400.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 75.3±6.0 kJ/mol
Flash Point: 196.1±28.7 °C
Index of Refraction: 1.531
Molar Refractivity: 37.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -1.76
ACD/LogD (pH 5.5): -1.21
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.21
ACD/LogD (pH 7.4): -1.21
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.21
Polar Surface Area: 67 Å2
Polarizability: 14.9±0.5 10-24cm3
Surface Tension: 55.8±5.0 dyne/cm
Molar Volume: 121.2±5.0 cm3

Click to predict properties on the Chemicalize site


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