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Search term: PQKRYXHYWWQULJ (Found by InChIKey (skeleton match))
ChemSpider 2D Image | Anadur | C33H46O4

Anadur

  • Molecular FormulaC33H46O4
  • Average mass506.716 Da
  • Monoisotopic mass506.339600 Da
  • ChemSpider ID83364

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(17β)-17-[3-[4-(Hexyloxy)phenyl]-1-oxopropoxy]estr-4-en-3-one
(17β)-3-Oxoestr-4-en-17-yl 3-[4-(hexyloxy)phenyl]propanoate [ACD/IUPAC Name]
(17β)-3-Oxoestr-4-en-17-yl-3-[4-(hexyloxy)phenyl]propanoat [German] [ACD/IUPAC Name]
17b-[3-[4-(Hexyloxy)phenyl]-1-oxopropoxy]estr-4-en-3-one
17b-Hydroxy-19-norandrost-4-en-3-one p-Hexyloxyphenylpropionate
17b-Hydroxyestr-4-en-3-one p-(Hexyloxy)hydrocinnamate
17b-Hydroxyestr-4-en-3-one p-Hexyloxyphenylpropionate
17β-Hydroxyestr-4-en-3-one 17-(3-(4-(hexyloxy)phenyl)propionate)
19-Nortestosterone-3-(p-hexyloxyphenyl)propionate
257-810-4 [EINECS]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 626.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.7±3.0 kJ/mol
Flash Point: 261.1±31.5 °C
Index of Refraction: 1.557
Molar Refractivity: 146.9±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 8.55
ACD/LogD (pH 5.5): 8.02
ACD/BCF (pH 5.5): 730584.31
ACD/KOC (pH 5.5): 548005.94
ACD/LogD (pH 7.4): 8.02
ACD/BCF (pH 7.4): 730584.31
ACD/KOC (pH 7.4): 548005.94
Polar Surface Area: 53 Å2
Polarizability: 58.2±0.5 10-24cm3
Surface Tension: 45.8±5.0 dyne/cm
Molar Volume: 456.1±5.0 cm3

Click to predict properties on the Chemicalize site


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