ChemSpider 2D Image | (6aS,9aR)-9a-Hydroxy-4-methoxy(6a-~3~H)-2,3,6a,9a-tetrahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromene-1,11-dione | C17H11TO7

(6aS,9aR)-9a-Hydroxy-4-methoxy(6a-3H)-2,3,6a,9a-tetrahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromene-1,11-dione

  • Molecular FormulaC17H11TO7
  • Average mass330.281 Da
  • Monoisotopic mass330.066528 Da
  • ChemSpider ID57267956

  • defined stereocentres - 2 of 2 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(6aS,9aR)-9a-Hydroxy-4-methoxy(6a-3H)-2,3,6a,9a-tetrahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromen-1,11-dion [German] [ACD/IUPAC Name]
(6aS,9aR)-9a-Hydroxy-4-methoxy(6a-3H)-2,3,6a,9a-tetrahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromene-1,11-dione [ACD/IUPAC Name]
(6aS,9aR)-9a-Hydroxy-4-méthoxy(6a-3H)-2,3,6a,9a-tétrahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromène-1,11-dione [French] [ACD/IUPAC Name]
Cyclopenta[c]furo[3',2':4,5]furo[2,3-h][1]benzopyran-1,11-dione, 2,3,6a,9a-tetrahydro-6a-t-9a-hydroxy-4-methoxy-, (6aS,9aR)- [ACD/Index Name]
AFLATOXIN M1, [3H(G)]

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

Density:
Boiling Point: 644.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.9±3.0 kJ/mol
Flash Point: 246.1±25.0 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.35
ACD/LogD (pH 5.5): 0.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 33.53
ACD/LogD (pH 7.4): 0.27
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 33.52
Polar Surface Area: 91 Å2
Polarizability:
Surface Tension:
Molar Volume:

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