ChemSpider 2D Image | (6R)-6-{(E)-2-[(8R)-1-Oxido-2,9,10-trioxa-1-phosphabicyclo[4.3.1]dec-4-en-8-yl]vinyl}-5,6-dihydro-2H-pyran-2-one | C13H15O6P

(6R)-6-{(E)-2-[(8R)-1-Oxido-2,9,10-trioxa-1-phosphabicyclo[4.3.1]dec-4-en-8-yl]vinyl}-5,6-dihydro-2H-pyran-2-one

  • Molecular FormulaC13H15O6P
  • Average mass298.228 Da
  • Monoisotopic mass298.060638 Da
  • ChemSpider ID26596410

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 4 defined stereocentres

More details:

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

(6R)-6-{(E)-2-[(8R)-1-Oxido-2,9,10-trioxa-1-phosphabicyclo[4.3.1]dec-4-en-8-yl]vinyl}-5,6-dihydro-2H-pyran-2-on [German] [ACD/IUPAC Name]
(6R)-6-{(E)-2-[(8R)-1-Oxido-2,9,10-trioxa-1-phosphabicyclo[4.3.1]dec-4-en-8-yl]vinyl}-5,6-dihydro-2H-pyran-2-one [ACD/IUPAC Name]
(6R)-6-{(E)-2-[(8R)-1-Oxydo-2,9,10-trioxa-1-phosphabicyclo[4.3.1]déc-4-én-8-yl]vinyl}-5,6-dihydro-2H-pyran-2-one [French] [ACD/IUPAC Name]
2H-Pyran-2-one, 5,6-dihydro-6-[(E)-2-[(8R)-1-oxido-2,9,10-trioxa-1-phosphabicyclo[4.3.1]dec-4-en-8-yl]ethenyl]-, (6R)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 464.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.6±3.0 kJ/mol
Flash Point: 248.2±49.1 °C
Index of Refraction: 1.557
Molar Refractivity: 69.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.08
ACD/LogD (pH 5.5): 0.41
ACD/BCF (pH 5.5): 1.21
ACD/KOC (pH 5.5): 39.78
ACD/LogD (pH 7.4): 0.41
ACD/BCF (pH 7.4): 1.21
ACD/KOC (pH 7.4): 39.78
Polar Surface Area: 81 Å2
Polarizability: 27.6±0.5 10-24cm3
Surface Tension: 50.5±5.0 dyne/cm
Molar Volume: 216.3±5.0 cm3

Click to predict properties on the Chemicalize site


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