ChemSpider 2D Image | (11beta,20S)-11,20-Dihydroxy-3-oxopregn-4-en-21-oic acid | C21H30O5

(11β,20S)-11,20-Dihydroxy-3-oxopregn-4-en-21-oic acid

  • Molecular FormulaC21H30O5
  • Average mass362.460 Da
  • Monoisotopic mass362.209320 Da
  • ChemSpider ID48063889

  • defined stereocentres - 7 of 8 defined stereocentres

More details:

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

(11β,20S)-11,20-Dihydroxy-3-oxopregn-4-en-21-oic acid [ACD/IUPAC Name]
(11β,20S)-11,20-Dihydroxy-3-oxopregn-4-en-21-säure [German] [ACD/IUPAC Name]
Acide (11β,20S)-11,20-dihydroxy-3-oxoprégn-4-én-21-oïque [French] [ACD/IUPAC Name]
Pregn-4-en-21-oic acid, 11,20-dihydroxy-3-oxo-, (11β,20S)- [ACD/Index Name]
11,20-dihydroxy-3-oxo-4-pregnen-21-oic acid
11β,20-Dihydroxy-3-oxopregn-4-en-21-oic acid
11β,20R-dihydroxy-3-oxopregn-4-en-21-oic acid
20-Dihydro-corticosterone 21-Carboxylic Acid
20α-DHOPA
2-hydroxy-2-((8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)acetic acid
More...

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 579.7±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.7 mmHg at 25°C
    Enthalpy of Vaporization: 99.6±6.0 kJ/mol
    Flash Point: 318.4±26.6 °C
    Index of Refraction: 1.592
    Molar Refractivity: 95.5±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 3
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.50
    ACD/LogD (pH 5.5): -0.49
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.27
    ACD/LogD (pH 7.4): -1.88
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 95 Å2
    Polarizability: 37.9±0.5 10-24cm3
    Surface Tension: 58.0±5.0 dyne/cm
    Molar Volume: 282.2±5.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement