ChemSpider 2D Image | (4R)-4-[(1R,10S,13R,15R)-5,10-Dimethyl-15-(octyloxy)-3-oxo-2,14-dioxabicyclo[11.3.1]heptadeca-4,8-dien-15-yl]-1,3-thiazolidin-2-one | C28H45NO5S

(4R)-4-[(1R,10S,13R,15R)-5,10-Dimethyl-15-(octyloxy)-3-oxo-2,14-dioxabicyclo[11.3.1]heptadeca-4,8-dien-15-yl]-1,3-thiazolidin-2-one

  • Molecular FormulaC28H45NO5S
  • Average mass507.726 Da
  • Monoisotopic mass507.301849 Da
  • ChemSpider ID9715492

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(4R)-4-[(1R,10S,13R,15R)-5,10-Dimethyl-15-(octyloxy)-3-oxo-2,14-dioxabicyclo[11.3.1]heptadeca-4,8-dien-15-yl]-1,3-thiazolidin-2-on [German] [ACD/IUPAC Name]
(4R)-4-[(1R,10S,13R,15R)-5,10-Dimethyl-15-(octyloxy)-3-oxo-2,14-dioxabicyclo[11.3.1]heptadeca-4,8-dien-15-yl]-1,3-thiazolidin-2-one [ACD/IUPAC Name]
(4R)-4-[(1R,10S,13R,15R)-5,10-Diméthyl-15-(octyloxy)-3-oxo-2,14-dioxabicyclo[11.3.1]heptadéca-4,8-dién-15-yl]-1,3-thiazolidin-2-one [French] [ACD/IUPAC Name]
2-Thiazolidinone, 4-[(1R,10S,13R,15R)-5,10-dimethyl-15-(octyloxy)-3-oxo-2,14-dioxabicyclo[11.3.1]heptadeca-4,8-dien-15-yl]-, (4R)- [ACD/Index Name]
15-O-octyllatrunculin B

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

Density: 1.1±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.540
Molar Refractivity: 142.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 7.75
ACD/LogD (pH 5.5): 7.32
ACD/BCF (pH 5.5): 215650.86
ACD/KOC (pH 5.5): 228809.56
ACD/LogD (pH 7.4): 7.32
ACD/BCF (pH 7.4): 215645.42
ACD/KOC (pH 7.4): 228803.80
Polar Surface Area: 99 Å2
Polarizability: 56.4±0.5 10-24cm3
Surface Tension: 45.3±5.0 dyne/cm
Molar Volume: 453.0±5.0 cm3

Click to predict properties on the Chemicalize site


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