ChemSpider 2D Image | 1-{2-[(R)-Hydroxy{(4R)-5-methyl-6-[(4R)-2,3,4-trichloro-4-{(2S,3R)-3-[(1Z)-3,5-dichloro-1-hepten-1-yl]-2-oxiranyl}butyl]-1,3-dioxan-4-yl}methyl]-1,3-thiazol-4-yl}ethanone | C24H32Cl5NO5S

1-{2-[(R)-Hydroxy{(4R)-5-methyl-6-[(4R)-2,3,4-trichloro-4-{(2S,3R)-3-[(1Z)-3,5-dichloro-1-hepten-1-yl]-2-oxiranyl}butyl]-1,3-dioxan-4-yl}methyl]-1,3-thiazol-4-yl}ethanone

  • Molecular FormulaC24H32Cl5NO5S
  • Average mass623.845 Da
  • Monoisotopic mass621.044373 Da
  • ChemSpider ID78445746

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 11 defined stereocentres

More details:

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

1-{2-[(R)-Hydroxy{(4R)-5-methyl-6-[(4R)-2,3,4-trichlor-4-{(2S,3R)-3-[(1Z)-3,5-dichlor-1-hepten-1-yl]-2-oxiranyl}butyl]-1,3-dioxan-4-yl}methyl]-1,3-thiazol-4-yl}ethanon [German] [ACD/IUPAC Name]
1-{2-[(R)-Hydroxy{(4R)-5-methyl-6-[(4R)-2,3,4-trichloro-4-{(2S,3R)-3-[(1Z)-3,5-dichloro-1-hepten-1-yl]-2-oxiranyl}butyl]-1,3-dioxan-4-yl}methyl]-1,3-thiazol-4-yl}ethanone [ACD/IUPAC Name]
1-{2-[(R)-Hydroxy{(4R)-5-méthyl-6-[(4R)-2,3,4-trichloro-4-{(2S,3R)-3-[(1Z)-3,5-dichloro-1-heptén-1-yl]-2-oxiranyl}butyl]-1,3-dioxan-4-yl}méthyl]-1,3-thiazol-4-yl}éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[2-[(R)-hydroxy[(4R)-5-methyl-6-[(4R)-2,3,4-trichloro-4-[(2S,3R)-3-[(1Z)-3,5-dichloro-1-hepten-1-yl]oxiranyl]butyl]-1,3-dioxan-4-yl]methyl]-4-thiazolyl]- [ACD/Index Name]
aranazole A

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

Density: 1.4±0.1 g/cm3
Boiling Point: 713.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.5±3.0 kJ/mol
Flash Point: 385.2±32.9 °C
Index of Refraction: 1.580
Molar Refractivity: 149.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 4.16
ACD/LogD (pH 5.5): 4.26
ACD/BCF (pH 5.5): 1026.72
ACD/KOC (pH 5.5): 4979.65
ACD/LogD (pH 7.4): 4.26
ACD/BCF (pH 7.4): 1026.68
ACD/KOC (pH 7.4): 4979.40
Polar Surface Area: 109 Å2
Polarizability: 59.2±0.5 10-24cm3
Surface Tension: 52.6±3.0 dyne/cm
Molar Volume: 448.6±3.0 cm3

Click to predict properties on the Chemicalize site


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