ChemSpider 2D Image | (3Z,5S,6E,9S,10R)-8-Chloro-5,9-dihydroxy-10-methyl-5,8,9,10-tetrahydro-2H-oxecin-2-one | C10H13ClO4

(3Z,5S,6E,9S,10R)-8-Chloro-5,9-dihydroxy-10-methyl-5,8,9,10-tetrahydro-2H-oxecin-2-one

  • Molecular FormulaC10H13ClO4
  • Average mass232.661 Da
  • Monoisotopic mass232.050232 Da
  • ChemSpider ID24710022

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(3Z,5S,6E,9S,10R)-8-Chlor-5,9-dihydroxy-10-methyl-5,8,9,10-tetrahydro-2H-oxecin-2-on [German] [ACD/IUPAC Name]
(3Z,5S,6E,9S,10R)-8-Chloro-5,9-dihydroxy-10-methyl-5,8,9,10-tetrahydro-2H-oxecin-2-one [ACD/IUPAC Name]
(3Z,5S,6E,9S,10R)-8-Chloro-5,9-dihydroxy-10-méthyl-5,8,9,10-tétrahydro-2H-oxécin-2-one [French] [ACD/IUPAC Name]
2H-Oxecin-2-one, 8-chloro-5,8,9,10-tetrahydro-5,9-dihydroxy-10-methyl-, (3Z,5S,6E,9S,10R)- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL501733/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 482.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 86.2±6.0 kJ/mol
Flash Point: 245.8±28.7 °C
Index of Refraction: 1.553
Molar Refractivity: 55.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -0.68
ACD/LogD (pH 5.5): -0.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 22.10
ACD/LogD (pH 7.4): -0.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 22.10
Polar Surface Area: 67 Å2
Polarizability: 22.1±0.5 10-24cm3
Surface Tension: 51.2±5.0 dyne/cm
Molar Volume: 174.4±5.0 cm3

Click to predict properties on the Chemicalize site


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