ChemSpider 2D Image | 4-METHYL ESTRADIOL 17-VALERATE | C24H34O3

4-METHYL ESTRADIOL 17-VALERATE

  • Molecular FormulaC24H34O3
  • Average mass370.525 Da
  • Monoisotopic mass370.250793 Da
  • ChemSpider ID27524375

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(17β)-1-Hydroxy-4,9-cyclo-9,10-secoandrosta-1,3,5(10)-trien-17-yl valerate [ACD/IUPAC Name]
(17β)-1-Hydroxy-4,9-cyclo-9,10-secoandrosta-1,3,5(10)-trien-17-ylvalerat [German] [ACD/IUPAC Name]
1359847-37-2 [RN]
4-METHYL ESTRADIOL 17-VALERATE
Pentanoic acid, (17β)-3-hydroxy-4-methylestra-1(10),2,4-trien-17-yl ester [ACD/Index Name]
Valérate de (17β)-1-hydroxy-4,9-cyclo-9,10-sécoandrosta-1,3,5(10)-trién-17-yle [French] [ACD/IUPAC Name]
[(8R,9S,13S,14S,17S)-3-hydroxy-4,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] pentanoate
3-Hydroxy-4-methylestra-1,3,5(10)-trien-17β-yl Pentanoate
3-Hydroxy-4-methylestra-1,3,5(10)-trien-17β-yl Pentanoate (4-Methylestradiol Valerate)
4-Methylestradiol Valerate
More...

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

5PDP2ZZR0N [DBID]
UNII:5PDP2ZZR0N [DBID]
UNII-5PDP2ZZR0N [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 495.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.2±3.0 kJ/mol
Flash Point: 192.7±21.5 °C
Index of Refraction: 1.564
Molar Refractivity: 107.3±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 7.08
ACD/LogD (pH 5.5): 6.28
ACD/BCF (pH 5.5): 35089.91
ACD/KOC (pH 5.5): 62376.92
ACD/LogD (pH 7.4): 6.28
ACD/BCF (pH 7.4): 35068.65
ACD/KOC (pH 7.4): 62339.13
Polar Surface Area: 47 Å2
Polarizability: 42.5±0.5 10-24cm3
Surface Tension: 46.7±5.0 dyne/cm
Molar Volume: 329.7±5.0 cm3

Click to predict properties on the Chemicalize site


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