ChemSpider 2D Image | (1E,3R,4R,6R,7E,9E,11E)-3,6,13-Trihydroxy-3-methyl-1-[(2S)-6-oxo-3,6-dihydro-2H-pyran-2-yl]-1,7,9,11-tridecatetraen-4-yl dihydrogen phosphate | C19H27O9P

(1E,3R,4R,6R,7E,9E,11E)-3,6,13-Trihydroxy-3-methyl-1-[(2S)-6-oxo-3,6-dihydro-2H-pyran-2-yl]-1,7,9,11-tridecatetraen-4-yl dihydrogen phosphate

  • Molecular FormulaC19H27O9P
  • Average mass430.386 Da
  • Monoisotopic mass430.139282 Da
  • ChemSpider ID24831290

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1E,3R,4R,6R,7E,9E,11E)-3,6,13-Trihydroxy-3-methyl-1-[(2S)-6-oxo-3,6-dihydro-2H-pyran-2-yl]-1,7,9,11-tridecatetraen-4-yl dihydrogen phosphate [ACD/IUPAC Name]
(1E,3R,4R,6R,7E,9E,11E)-3,6,13-Trihydroxy-3-methyl-1-[(2S)-6-oxo-3,6-dihydro-2H-pyran-2-yl]-1,7,9,11-tridecatetraen-4-yldihydrogenphosphat [German] [ACD/IUPAC Name]
2H-Pyran-2-one, 5,6-dihydro-6-[(1E,3R,4R,6R,7E,9E,11E)-3,6,13-trihydroxy-3-methyl-4-(phosphonooxy)-1,7,9,11-tridecatetraen-1-yl]-, (6S)- [ACD/Index Name]
Dihydrogénophosphate de (1E,3R,4R,6R,7E,9E,11E)-3,6,13-trihydroxy-3-méthyl-1-[(2S)-6-oxo-3,6-dihydro-2H-pyran-2-yl]-1,7,9,11-tridécatétraén-4-yle [French] [ACD/IUPAC 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: 737.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.5 mmHg at 25°C
Enthalpy of Vaporization: 122.9±6.0 kJ/mol
Flash Point: 400.1±35.7 °C
Index of Refraction: 1.624
Molar Refractivity: 107.5±0.3 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: -1.10
ACD/LogD (pH 5.5): -4.57
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.50
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 164 Å2
Polarizability: 42.6±0.5 10-24cm3
Surface Tension: 73.7±3.0 dyne/cm
Molar Volume: 304.4±3.0 cm3

Click to predict properties on the Chemicalize site


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