ChemSpider 2D Image | 4,8-Dihydroxy-5-(1-hydroxyheptyl)-10-[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

4,8-Dihydroxy-5-(1-hydroxyheptyl)-10-[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 ID28923

More details:






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

1H-Cyclonona[1,2-c:5,6-c']difuran-1,3,6-trione, 10-[(3,6-dihydro-6-oxo-2H-pyran-2-yl)hydroxymethyl]-4,5,8,9,10,11-hexahydro-4,8-dihydroxy-5-(1-hydroxyheptyl)- [ACD/Index Name]
4,8-Dihydroxy-5-(1-hydroxyheptyl)-10-[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]
4,8-Dihydroxy-5-(1-hydroxyheptyl)-10-[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]
4,8-Dihydroxy-5-(1-hydroxyheptyl)-10-[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]
10-((3,6-Dihydro-6-oxo-2H-pyran-2-yl)hydroxymethyl)-4,5,8,9,10,11-hexahydro-4,8-dihydroxy-5-(1-hydroxyheptyl)-1H-cyclonona(1,2-c:5,6-c')difuran-1,3,6-trione
1H-Cyclonona(1,2-c:5,6-c')difuran-1,3,6-trione, 10-((3,6-dihydro-6-oxo-2H-pyran-2-yl)hydroxymethyl)-4,5,8,9,10,11-hexahydro-4,8-dihydroxy-5-(1-hydroxyheptyl)-
22467-31-8 [RN]
5-19-08-00329 [Beilstein]
Rubratoxin A
RUBRATOXINA

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

. [DBID]
BRN 1633008 [DBID]
HSDB 3532 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Toxicity:

      Organic Compound; Ester; Mycotoxin; Fungal Toxin; Natural Compound Toxin, Toxin-Target Database T3D3731

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

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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