ChemSpider 2D Image | oscillatoxin A | C31H46O10

oscillatoxin A

  • Molecular FormulaC31H46O10
  • Average mass578.691 Da
  • Monoisotopic mass578.309082 Da
  • ChemSpider ID10355308

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(1S,3R,4S,5S,9R,13S,14R)-13-Hydroxy-9-(hydroxymethyl)-3-[(2S,5S)-5-(3-hydroxyphenyl)-5-methoxy-2-pentanyl]-4,14,16,16-tetramethyl-2,6,10,17-tetraoxatricyclo[11.3.1.11,5]octadecan-7,11-dion [German] [ACD/IUPAC Name]
(1S,3R,4S,5S,9R,13S,14R)-13-Hydroxy-9-(hydroxymethyl)-3-[(2S,5S)-5-(3-hydroxyphenyl)-5-methoxy-2-pentanyl]-4,14,16,16-tetramethyl-2,6,10,17-tetraoxatricyclo[11.3.1.11,5]octadecane-7,11-dione [ACD/IUPAC Name]
(1S,3R,4S,5S,9R,13S,14R)-13-Hydroxy-9-(hydroxyméthyl)-3-[(2S,5S)-5-(3-hydroxyphényl)-5-méthoxy-2-pentanyl]-4,14,16,16-tétraméthyl-2,6,10,17-tétraoxatricyclo[11.3.1.11,5]octadécane-7,11-dione [French] [ACD/IUPAC Name]
2,6,10,17-Tetraoxatricyclo[11.3.1.11,5]octadecane-7,11-dione, 13-hydroxy-9-(hydroxymethyl)-3-[(1S,4S)-4-(3-hydroxyphenyl)-4-methoxy-1-methylbutyl]-4,14,16,16-tetramethyl-, (1S,3R,4S,5S,9R,13S,14R)- [ACD/Index Name]
2,6,10,17-Tetraoxatricyclo[11.3.1.11,5]octadecane-7,11-dione, 13-hydroxy-9-(hydroxymethyl)-3-[(1S,4S)-4-(3-hydroxyphenyl)-4-methoxy-1-methylbutyl]-4,14,16,16-tetramethyl-, (1S,3R,4S,5S,9R,13S,14R)-
66671-95-2 [RN]
oscillatoxin A

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

Density: 1.3±0.1 g/cm3
Boiling Point: 759.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.1±3.0 kJ/mol
Flash Point: 240.6±26.4 °C
Index of Refraction: 1.563
Molar Refractivity: 149.8±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 2.36
ACD/LogD (pH 5.5): 3.42
ACD/BCF (pH 5.5): 233.19
ACD/KOC (pH 5.5): 1723.48
ACD/LogD (pH 7.4): 3.42
ACD/BCF (pH 7.4): 232.17
ACD/KOC (pH 7.4): 1715.93
Polar Surface Area: 141 Å2
Polarizability: 59.4±0.5 10-24cm3
Surface Tension: 54.5±5.0 dyne/cm
Molar Volume: 461.1±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement