ChemSpider 2D Image | (4S,6R)-4,6-Dihydroxy-3-[(2R,3S)-3-(2-hydroxy-2-propanyl)-2-oxiranyl]-6-methyl-2-cyclohexen-1-one | C12H18O5

(4S,6R)-4,6-Dihydroxy-3-[(2R,3S)-3-(2-hydroxy-2-propanyl)-2-oxiranyl]-6-methyl-2-cyclohexen-1-one

  • Molecular FormulaC12H18O5
  • Average mass242.268 Da
  • Monoisotopic mass242.115417 Da
  • ChemSpider ID27445047

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(4S,6R)-4,6-Dihydroxy-3-[(2R,3S)-3-(2-hydroxy-2-propanyl)-2-oxiranyl]-6-methyl-2-cyclohexen-1-on [German] [ACD/IUPAC Name]
(4S,6R)-4,6-Dihydroxy-3-[(2R,3S)-3-(2-hydroxy-2-propanyl)-2-oxiranyl]-6-methyl-2-cyclohexen-1-one [ACD/IUPAC Name]
(4S,6R)-4,6-Dihydroxy-3-[(2R,3S)-3-(2-hydroxy-2-propanyl)-2-oxiranyl]-6-méthyl-2-cyclohexén-1-one [French] [ACD/IUPAC Name]
2-Cyclohexen-1-one, 4,6-dihydroxy-3-[(2R,3S)-3-(1-hydroxy-1-methylethyl)oxiranyl]-6-methyl-, (4S,6R)- [ACD/Index Name]
(4S,6R)-4,6-dihydroxy-3-[(2R,3S)-3-(1-hydroxy-1-methyl-ethyl)oxiran-2-yl]-6-methyl-cyclohex-2-en-1-one
Acremine H

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

Density: 1.4±0.1 g/cm3
Boiling Point: 449.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 81.6±6.0 kJ/mol
Flash Point: 174.1±22.2 °C
Index of Refraction: 1.605
Molar Refractivity: 59.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -1.17
ACD/LogD (pH 5.5): -1.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.40
ACD/LogD (pH 7.4): -1.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.40
Polar Surface Area: 90 Å2
Polarizability: 23.5±0.5 10-24cm3
Surface Tension: 70.9±3.0 dyne/cm
Molar Volume: 171.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement