ChemSpider 2D Image | (4S)-4,8-Dihydroxy-5-[(1S)-1-hydroxyheptyl]-10-[(S)-hydroxy(6-oxo-3,6-dihydro-2H-pyran-2-yl)methyl]-4,5,8,9,10,11-hexahydro-1H-furo[3',4':5,6]cyclonona[1,2-c]furan-1,3,6-trione | C26H32O11

(4S)-4,8-Dihydroxy-5-[(1S)-1-hydroxyheptyl]-10-[(S)-hydroxy(6-oxo-3,6-dihydro-2H-pyran-2-yl)methyl]-4,5,8,9,10,11-hexahydro-1H-furo[3',4':5,6]cyclonona[1,2-c]furan-1,3,6-trione

  • Molecular FormulaC26H32O11
  • Average mass520.526 Da
  • Monoisotopic mass520.194458 Da
  • ChemSpider ID35467144

  • defined stereocentres - 3 of 7 defined stereocentres

More details:

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

(4S)-4,8-Dihydroxy-5-[(1S)-1-hydroxyheptyl]-10-[(S)-hydroxy(6-oxo-3,6-dihydro-2H-pyran-2-yl)methyl]-4,5,8,9,10,11-hexahydro-1H-furo[3',4':5,6]cyclonona[1,2-c]furan-1,3,6-trion [German] [ACD/IUPAC Name]
(4S)-4,8-Dihydroxy-5-[(1S)-1-hydroxyheptyl]-10-[(S)-hydroxy(6-oxo-3,6-dihydro-2H-pyran-2-yl)methyl]-4,5,8,9,10,11-hexahydro-1H-furo[3',4':5,6]cyclonona[1,2-c]furan-1,3,6-trione [ACD/IUPAC Name]
(4S)-4,8-Dihydroxy-5-[(1S)-1-hydroxyheptyl]-10-[(S)-hydroxy(6-oxo-3,6-dihydro-2H-pyran-2-yl)méthyl]-4,5,8,9,10,11-hexahydro-1H-furo[3',4':5,6]cyclonona[1,2-c]furane-1,3,6-trione [French] [ACD/IUPAC Name]
1H-Cyclonona[1,2-c:5,6-c']difuran-1,3,6-trione, 10-[(S)-(3,6-dihydro-6-oxo-2H-pyran-2-yl)hydroxymethyl]-4,5,8,9,10,11-hexahydro-4,8-dihydroxy-5-[(1S)-1-hydroxyheptyl]-, (4S)- [ACD/Index Name]
22467-31-8 [RN]
Rubratoxin A
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      Biochemicals & small molecules/Antagonists & inhibitors Hello Bio HB4063
      Enzymes/Phosphatase/Phosphoprotein phosphatase/PP2A Hello Bio HB4063
      Mycotoxin. Potent and selective competitive protein phosphatase 2A (PP2A) inhibitor. Does not inhibit PP1, PP2B, PTP1B, ALP and CIP. Antitumor agent. Antimetastatic. Hello Bio HB4063
      Potent, selective, competitive PP2A inhibitor Hello Bio HB4063

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

Density: 1.5±0.1 g/cm3
Boiling Point: 857.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 141.7±6.0 kJ/mol
Flash Point: 288.5±27.8 °C
Index of Refraction: 1.615
Molar Refractivity: 124.8±0.4 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: -0.34
ACD/LogD (pH 5.5): 0.46
ACD/BCF (pH 5.5): 1.32
ACD/KOC (pH 5.5): 42.48
ACD/LogD (pH 7.4): 0.46
ACD/BCF (pH 7.4): 1.32
ACD/KOC (pH 7.4): 42.45
Polar Surface Area: 177 Å2
Polarizability: 49.5±0.5 10-24cm3
Surface Tension: 70.7±5.0 dyne/cm
Molar Volume: 357.6±5.0 cm3

Click to predict properties on the Chemicalize site


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