ChemSpider 2D Image | tixocortol pivalate | C26H38O5S

tixocortol pivalate

  • Molecular FormulaC26H38O5S
  • Average mass462.642 Da
  • Monoisotopic mass462.243988 Da
  • ChemSpider ID29361740
  • defined stereocentres - 5 of 7 defined stereocentres


More details:






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

5-[(9S,10R,11S,13S,17R)-11,17-Dihydroxy-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]-2,2-dimethyl-5-oxopentanethioic S-acid (non-preferred name) [ACD/IUPAC Name]
5-[(9S,10R,11S,13S,17R)-11,17-Dihydroxy-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]-2,2-dimethyl-5-oxopentanthio-S-säure (non-preferred n ame) [German] [ACD/IUPAC Name]
S-Acide de 5-[(9S,10R,11S,13S,17R)-11,17-dihydroxy-10,13-diméthyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tétradécahydro-1H-cyclopenta[a]phénanthrén-17-yl]-2,2-diméthyl-5-oxopentanethioïque (non-pre ferred name) [French] [ACD/IUPAC Name]
tixocortol pivalate
S-[11β,17-dihydroxypregn-4-ene-3,20-dione]21-(thiopivalate)

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 654.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.5 mmHg at 25°C
Enthalpy of Vaporization: 110.4±6.0 kJ/mol
Flash Point: 349.8±34.3 °C
Index of Refraction: 1.601
Molar Refractivity: 125.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.51
ACD/LogD (pH 5.5): 2.38
ACD/BCF (pH 5.5): 29.22
ACD/KOC (pH 5.5): 288.86
ACD/LogD (pH 7.4): 0.67
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.69
Polar Surface Area: 127 Å2
Polarizability: 49.9±0.5 10-24cm3
Surface Tension: 60.0±5.0 dyne/cm
Molar Volume: 367.5±5.0 cm3

Click to predict properties on the Chemicalize site






Advertisement