ChemSpider 2D Image | Miproxifene phosphate | C29H36NO5P

Miproxifene phosphate

  • Molecular FormulaC29H36NO5P
  • Average mass509.574 Da
  • Monoisotopic mass509.233124 Da
  • ChemSpider ID2299219

  • Double-bond stereo - Double-bond stereo

More details:

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

115767-74-3 [RN]
4-[(1E)-1-{4-[2-(Dimethylamino)ethoxy]phenyl}-2-(4-isopropylphenyl)-1-buten-1-yl]phenyl dihydrogen phosphate [ACD/IUPAC Name]
4-[(1E)-1-{4-[2-(Dimethylamino)ethoxy]phenyl}-2-(4-isopropylphenyl)-1-buten-1-yl]phenyldihydrogenphosphat [German] [ACD/IUPAC Name]
Dihydrogénophosphate de 4-[(1E)-1-{4-[2-(diméthylamino)éthoxy]phényl}-2-(4-isopropylphényl)-1-butén-1-yl]phényle [French] [ACD/IUPAC Name]
Miproxifene phosphate
Phenol, 4-[(1E)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-[4-(1-methylethyl)phenyl]-1-buten-1-yl]-, dihydrogen phosphate (ester) [ACD/Index Name]
[4-[(E)-1-[4-(2-dimethylaminoethoxy)phenyl]-2-(4-isopropylphenyl)but-1-enyl]phenyl] dihydrogen phosphate
[4-[(E)-1-[4-(2-dimethylaminoethoxy)phenyl]-2-(4-propan-2-ylphenyl)but-1-enyl]phenyl] dihydrogen phosphate
115767-64-1 [RN]
Antitumor agent-4
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

QAK0B78ZCL [DBID]
D01853 [DBID]
TAT 59 [DBID]
TAT-59 [DBID]
UNII:QAK0B78ZCL [DBID]
UNII-QAK0B78ZCL [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 640.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.4±3.0 kJ/mol
Flash Point: 341.1±34.3 °C
Index of Refraction: 1.585
Molar Refractivity: 145.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 7.19
ACD/LogD (pH 5.5): 2.22
ACD/BCF (pH 5.5): 7.12
ACD/KOC (pH 5.5): 27.44
ACD/LogD (pH 7.4): 1.81
ACD/BCF (pH 7.4): 2.78
ACD/KOC (pH 7.4): 10.70
Polar Surface Area: 89 Å2
Polarizability: 57.5±0.5 10-24cm3
Surface Tension: 47.3±3.0 dyne/cm
Molar Volume: 433.0±3.0 cm3

Click to predict properties on the Chemicalize site


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