ChemSpider 2D Image | ESTRADIOL MONOPALMITATE | C34H54O3

ESTRADIOL MONOPALMITATE

  • Molecular FormulaC34H54O3
  • Average mass510.791 Da
  • Monoisotopic mass510.407288 Da
  • ChemSpider ID99723
  • defined stereocentres - 5 of 5 defined stereocentres


More details:






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

(17β)-3-hydroxyestra-1(10),2,4-trien-17-yl hexadecanoate
(17β)-3-Hydroxyestra-1,3,5(10)-trien-17-yl palmitate [ACD/IUPAC Name]
(17β)-3-Hydroxyestra-1,3,5(10)-trien-17-ylpalmitat [German] [ACD/IUPAC Name]
227-300-6 [EINECS]
5776-45-4 [RN]
ESTRADIOL MONOPALMITATE
hexadecanoic acid, (17β)-3-hydroxyestra-1(10),2,4-trien-17-yl ester
Hexadecanoic acid, (17β)-3-hydroxyestra-1,3,5(10)-trien-17-yl ester [ACD/Index Name]
Palmitate de (17β)-3-hydroxyestra-1,3,5(10)-trién-17-yle [French] [ACD/IUPAC Name]
(1S,10R,11S,14S,15S)-5-HYDROXY-15-METHYLTETRACYCLO[8.7.0.0ì,?.0––,–?]HEPTADECA-2,4,6-TRIEN-14-YL HEXADECANOATE
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1Q5Y448XT0 [DBID]
UNII:1Q5Y448XT0 [DBID]
UNII-1Q5Y448XT0 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 608.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.8±3.0 kJ/mol
Flash Point: 222.1±24.3 °C
Index of Refraction: 1.538
Molar Refractivity: 153.6±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 12.47
ACD/LogD (pH 5.5): 11.44
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 11.44
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 47 Å2
Polarizability: 60.9±0.5 10-24cm3
Surface Tension: 43.9±5.0 dyne/cm
Molar Volume: 491.3±5.0 cm3

Click to predict properties on the Chemicalize site






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