ChemSpider 2D Image | 2,3-Thioepoxy Madol | C20H32OS

2,3-Thioepoxy Madol

  • Molecular FormulaC20H32OS
  • Average mass320.533 Da
  • Monoisotopic mass320.217377 Da
  • ChemSpider ID48063843

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(1S,2S,4R,6S,8S,11R,12S,15S,16S)-2,15,16-trimethyl-5-thiapentacyclo[9.7.0.0²,?.0?,?.0¹²,¹?]octadecan-15-ol
(2α,3α,5α,17β)-17-Methyl-2,3-epithioandrostan-17-ol [ACD/IUPAC Name]
(2α,3α,5α,17β)-17-Méthyl-2,3-épithioandrostan-17-ol [French] [ACD/IUPAC Name]
2,3-Thioepoxy Madol
4267-80-5 [RN]
Androstan-17-ol, 2,3-epithio-17-methyl-, (2α,3α,5α,17β)- [ACD/Index Name]
2-α,3-α-EPITHIO-17-α-METHYL ETIOALLOCHOLAN-17-β-OL

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

Z50OE1022B [DBID]
UNII:Z50OE1022B [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: 427.0±38.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.3 mmHg at 25°C
    Enthalpy of Vaporization: 78.7±6.0 kJ/mol
    Flash Point: 207.3±25.5 °C
    Index of Refraction: 1.568
    Molar Refractivity: 94.2±0.3 cm3
    #H bond acceptors: 1
    #H bond donors: 1
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations: 1
    ACD/LogP: 5.28
    ACD/LogD (pH 5.5): 4.77
    ACD/BCF (pH 5.5): 2485.28
    ACD/KOC (pH 5.5): 9375.74
    ACD/LogD (pH 7.4): 4.77
    ACD/BCF (pH 7.4): 2485.28
    ACD/KOC (pH 7.4): 9375.74
    Polar Surface Area: 46 Å2
    Polarizability: 37.3±0.5 10-24cm3
    Surface Tension: 45.3±3.0 dyne/cm
    Molar Volume: 287.8±3.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement