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Search term: 28284634 (Found by CSID)
ChemSpider 2D Image | (1R)-4',5-Dihydroxy-7,8-dihydro-3H-spiro[cyclopenta[d]furo[3,4-b]pyran-1,12'-[2,10]dioxatricyclo[12.2.2.1~3,7~]nonadeca[1(16),3(19),4,6,14,17]hexaene]-3,6,11'(5H)-trione | C26H20O9

(1R)-4',5-Dihydroxy-7,8-dihydro-3H-spiro[cyclopenta[d]furo[3,4-b]pyran-1,12'-[2,10]dioxatricyclo[12.2.2.13,7]nonadeca[1(16),3(19),4,6,14,17]hexaene]-3,6,11'(5H)-trione

  • Molecular FormulaC26H20O9
  • Average mass476.432 Da
  • Monoisotopic mass476.110718 Da
  • ChemSpider ID28284634

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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(1R)-4',5-Dihydroxy-7,8-dihydro-3H-spiro[cyclopenta[d]furo[3,4-b]pyran-1,12'-[2,10]dioxatricyclo[12.2.2.13,7]nonadeca[1(16),3(19),4,6,14,17]hexaene]-3,6,11'(5H)-trione [ACD/IUPAC Name]
Spiro[cyclopenta[d]furo[3,4-b]pyran-1(3H),12'-[2,10]dioxatricyclo[12.2.2.13,7]nonadeca[3,5,7(19),14,16,17]hexaene]-3,6,11'(5H)-trione, 7,8-dihydro-4',5-dihydroxy-, (1R)- [ACD/Index Name]
Retipolide A

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

Density: 1.6±0.1 g/cm3
Boiling Point: 845.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 128.7±3.0 kJ/mol
Flash Point: 294.2±27.8 °C
Index of Refraction: 1.717
Molar Refractivity: 117.4±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.32
ACD/LogD (pH 5.5): 0.87
ACD/BCF (pH 5.5): 2.67
ACD/KOC (pH 5.5): 70.39
ACD/LogD (pH 7.4): 0.86
ACD/BCF (pH 7.4): 2.62
ACD/KOC (pH 7.4): 69.03
Polar Surface Area: 129 Å2
Polarizability: 46.5±0.5 10-24cm3
Surface Tension: 83.3±5.0 dyne/cm
Molar Volume: 298.1±5.0 cm3

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