ChemSpider 2D Image | (1R,5S)-3-(Hydroxymethyl)-1-[(2E)-4-hydroxy-3-methyl-2-buten-1-yl]-6-oxabicyclo[3.2.0]hept-2-en-7-one | C12H16O4

(1R,5S)-3-(Hydroxymethyl)-1-[(2E)-4-hydroxy-3-methyl-2-buten-1-yl]-6-oxabicyclo[3.2.0]hept-2-en-7-one

  • Molecular FormulaC12H16O4
  • Average mass224.253 Da
  • Monoisotopic mass224.104858 Da
  • ChemSpider ID76794145

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1R,5S)-3-(Hydroxymethyl)-1-[(2E)-4-hydroxy-3-methyl-2-buten-1-yl]-6-oxabicyclo[3.2.0]hept-2-en-7-on [German] [ACD/IUPAC Name]
(1R,5S)-3-(Hydroxymethyl)-1-[(2E)-4-hydroxy-3-methyl-2-buten-1-yl]-6-oxabicyclo[3.2.0]hept-2-en-7-one [ACD/IUPAC Name]
(1R,5S)-3-(Hydroxyméthyl)-1-[(2E)-4-hydroxy-3-méthyl-2-butén-1-yl]-6-oxabicyclo[3.2.0]hept-2-én-7-one [French] [ACD/IUPAC Name]
6-Oxabicyclo[3.2.0]hept-2-en-7-one, 3-(hydroxymethyl)-1-[(2E)-4-hydroxy-3-methyl-2-buten-1-yl]-, (1R,5S)- [ACD/Index Name]
Ostalactone A

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

Density: 1.3±0.1 g/cm3
Boiling Point: 414.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 77.1±6.0 kJ/mol
Flash Point: 161.7±22.2 °C
Index of Refraction: 1.574
Molar Refractivity: 57.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.05
ACD/LogD (pH 5.5): 0.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 25.36
ACD/LogD (pH 7.4): 0.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 25.36
Polar Surface Area: 67 Å2
Polarizability: 22.9±0.5 10-24cm3
Surface Tension: 53.0±3.0 dyne/cm
Molar Volume: 175.4±3.0 cm3

Click to predict properties on the Chemicalize site


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