ChemSpider 2D Image | (4R)-4-[(1R,4Z,8Z,10Z,12S,17R)-17-Hydroxy-5,12-dimethyl-3-oxo-2,16-dioxabicyclo[13.3.1]nonadeca-4,8,10-trien-17-yl]-1,3-thiazolidin-2-one | C22H31NO5S

(4R)-4-[(1R,4Z,8Z,10Z,12S,17R)-17-Hydroxy-5,12-dimethyl-3-oxo-2,16-dioxabicyclo[13.3.1]nonadeca-4,8,10-trien-17-yl]-1,3-thiazolidin-2-one

  • Molecular FormulaC22H31NO5S
  • Average mass421.550 Da
  • Monoisotopic mass421.192291 Da
  • ChemSpider ID52564134

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(4R)-4-[(1R,4Z,8Z,10Z,12S,17R)-17-Hydroxy-5,12-dimethyl-3-oxo-2,16-dioxabicyclo[13.3.1]nonadeca-4,8,10-trien-17-yl]-1,3-thiazolidin-2-on [German] [ACD/IUPAC Name]
(4R)-4-[(1R,4Z,8Z,10Z,12S,17R)-17-Hydroxy-5,12-dimethyl-3-oxo-2,16-dioxabicyclo[13.3.1]nonadeca-4,8,10-trien-17-yl]-1,3-thiazolidin-2-one [ACD/IUPAC Name]
(4R)-4-[(1R,4Z,8Z,10Z,12S,17R)-17-Hydroxy-5,12-diméthyl-3-oxo-2,16-dioxabicyclo[13.3.1]nonadéca-4,8,10-trién-17-yl]-1,3-thiazolidin-2-one [French] [ACD/IUPAC Name]
2-Thiazolidinone, 4-[(1R,4Z,8Z,10Z,12S,17R)-17-hydroxy-5,12-dimethyl-3-oxo-2,16-dioxabicyclo[13.3.1]nonadeca-4,8,10-trien-17-yl]-, (4R)- [ACD/Index Name]
(4R)-((1R,4Z,8E,10Z,12S,15R,17R)-17-HYDROXY-5,12-DIMETHYL-3-OXO-2,16-DIOXABICYCLO(13.3.1)NONADECA-4,8,10-TRIEN-17-YL)-2-THIAZOLIDINONE
76343-93-6 [RN]

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: 1.533
Molar Refractivity: 113.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.14
ACD/LogD (pH 5.5): 3.22
ACD/BCF (pH 5.5): 166.02
ACD/KOC (pH 5.5): 1351.47
ACD/LogD (pH 7.4): 3.22
ACD/BCF (pH 7.4): 166.01
ACD/KOC (pH 7.4): 1351.34
Polar Surface Area: 110 Å2
Polarizability: 44.8±0.5 10-24cm3
Surface Tension: 40.5±3.0 dyne/cm
Molar Volume: 364.3±3.0 cm3

Click to predict properties on the Chemicalize site


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