ChemSpider 2D Image | 4-[(3E)-4-(4-Hydroxyphenyl)-3-hexen-3-yl]phenyl trihydrogen diphosphate | C18H22O8P2

4-[(3E)-4-(4-Hydroxyphenyl)-3-hexen-3-yl]phenyl trihydrogen diphosphate

  • Molecular FormulaC18H22O8P2
  • Average mass428.310 Da
  • Monoisotopic mass428.078979 Da
  • ChemSpider ID57575571

  • Double-bond stereo - Double-bond stereo

More details:

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

4-[(3E)-4-(4-Hydroxyphenyl)-3-hexen-3-yl]phenyl trihydrogen diphosphate [ACD/IUPAC Name]
4-[(3E)-4-(4-Hydroxyphenyl)-3-hexen-3-yl]phenyltrihydrogendiphosphat [German] [ACD/IUPAC Name]
Diphosphoric acid, mono[4-[(1E)-1-ethyl-2-(4-hydroxyphenyl)-1-buten-1-yl]phenyl] ester [ACD/Index Name]
Trihydrogénodiphosphate de 4-[(3E)-4-(4-hydroxyphényl)-3-hexén-3-yl]phényle [French] [ACD/IUPAC Name]
522-40-7 [RN]
DIETHYLSTILBESTROL DIPHOSPHATE [USP]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 621.7±57.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.8±3.0 kJ/mol
Flash Point: 329.8±32.1 °C
Index of Refraction: 1.610
Molar Refractivity: 103.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.16
ACD/LogD (pH 5.5): -3.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.73
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 153 Å2
Polarizability: 41.0±0.5 10-24cm3
Surface Tension: 65.1±3.0 dyne/cm
Molar Volume: 298.5±3.0 cm3

Click to predict properties on the Chemicalize site


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