ChemSpider 2D Image | 7?-fulvestrant | C32H47F5O3S

7?-fulvestrant

  • Molecular FormulaC32H47F5O3S
  • Average mass606.771 Da
  • Monoisotopic mass606.316589 Da
  • ChemSpider ID32700165

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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

{9-[(7β,17β)-3,17-Dihydroxyestra-1,3,5(10)-trien-7-yl]nonyl}(4,4,5,5,5-pentafluoropentyl)sulfoniumolate [ACD/IUPAC Name]
{9-[(7β,17β)-3,17-Dihydroxyestra-1,3,5(10)-trién-7-yl]nonyl}(4,4,5,5,5-pentafluoropentyl)sulfoniumolate [French] [ACD/IUPAC Name]
{9-[(7β,17β)-3,17-Dihydroxyestra-1,3,5(10)-trien-7-yl]nonyl}(4,4,5,5,5-pentafluorpentyl)sulfoniumolat [German] [ACD/IUPAC Name]
407577-53-1 [RN]
7?-fulvestrant
Estra-1,3,5(10)-triene-3,17-diol, 7-[9-[hydroxy(4,4,5,5,5-pentafluoropentyl)sulfonio]nonyl]-, inner salt, (7β,17β)- [ACD/Index Name]
(7S,8R,9S,13S,14S,17S)-13-methyl-7-[9-(4,4,5,5,5-pentafluoropentylsulfinyl)nonyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
7β-Fulvestrant
Fulvestrant β-isomer
Fulvestrant, 7β-
More...

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

L8HA5DT6RS [DBID]
UNII:L8HA5DT6RS [DBID]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.522
    Molar Refractivity: 154.0±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 3
    #Freely Rotating Bonds: 17
    #Rule of 5 Violations:
    ACD/LogP:
    ACD/LogD (pH 5.5):
    ACD/BCF (pH 5.5):
    ACD/KOC (pH 5.5):
    ACD/LogD (pH 7.4):
    ACD/BCF (pH 7.4):
    ACD/KOC (pH 7.4):
    Polar Surface Area: 64 Å2
    Polarizability: 61.1±0.5 10-24cm3
    Surface Tension: 42.0±3.0 dyne/cm
    Molar Volume: 505.1±3.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement