ChemSpider 2D Image | (15alpha,16alpha,17beta)-3-(Benzyloxy)-15,16-dihydroxyestra-1(10),2,4-trien-17-yl acetate | C27H32O5

(15α,16α,17β)-3-(Benzyloxy)-15,16-dihydroxyestra-1(10),2,4-trien-17-yl acetate

  • Molecular FormulaC27H32O5
  • Average mass436.540 Da
  • Monoisotopic mass436.224976 Da
  • ChemSpider ID29788680

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(15α,16α,17β)-3-(Benzyloxy)-15,16-dihydroxyestra-1(10),2,4-trien-17-yl acetate [ACD/IUPAC Name]
(15α,16α,17β)-3-(Benzyloxy)-15,16-dihydroxyestra-1(10),2,4-trien-17-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (15α,16α,17β)-3-(benzyloxy)-15,16-dihydroxyestra-1(10),2,4-trién-17-yle [French] [ACD/IUPAC Name]
Estra-1(10),2,4-triene-15,16,17-triol, 3-(phenylmethoxy)-, 17-acetate, (15α,16α,17β)- [ACD/Index Name]
(15a,16a,17b)-3-(Benzyloxy)-estra-1,3,5(10)-triene-15,16,17-triol 17-acetate
(15a,16a,17b)-3-(Phenylmethoxy)-estra-1,3,5(10)-triene-15,16,17-triol 17-acetate
(8R,9S,13S,14S,15R,16R,17R)-3-(benzyloxy)-15,16-dihydroxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-17-yl acetate
3-O-Benzyl estetrol 17-acetate
690996-24-8 [RN]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 571.1±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.7 mmHg at 25°C
    Enthalpy of Vaporization: 90.1±3.0 kJ/mol
    Flash Point: 188.5±23.6 °C
    Index of Refraction: 1.621
    Molar Refractivity: 121.3±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 2
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 4.56
    ACD/LogD (pH 5.5): 4.20
    ACD/BCF (pH 5.5): 925.08
    ACD/KOC (pH 5.5): 4621.58
    ACD/LogD (pH 7.4): 4.20
    ACD/BCF (pH 7.4): 925.08
    ACD/KOC (pH 7.4): 4621.58
    Polar Surface Area: 76 Å2
    Polarizability: 48.1±0.5 10-24cm3
    Surface Tension: 57.7±5.0 dyne/cm
    Molar Volume: 344.9±5.0 cm3

    Click to predict properties on the Chemicalize site


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