ChemSpider 2D Image | 5,13-Bis(3,4-dihydroxyphenyl)-4,12,14-trioxapentacyclo[11.7.1.0~2,11~.0~3,8~.0~15,20~]henicosa-2,8,10,15,17,19-hexaene-6,9,16,17,19,21-hexol | C30H24O13

5,13-Bis(3,4-dihydroxyphenyl)-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2,8,10,15,17,19-hexaene-6,9,16,17,19,21-hexol

  • Molecular FormulaC30H24O13
  • Average mass592.504 Da
  • Monoisotopic mass592.121704 Da
  • ChemSpider ID21169177

More details:

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

5,13-Bis(3,4-dihydroxyphenyl)-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2,8,10,15,17,19-hexaen-6,9,16,17,19,21-hexol [German] [ACD/IUPAC Name]
5,13-Bis(3,4-dihydroxyphenyl)-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2,8,10,15,17,19-hexaene-6,9,16,17,19,21-hexol [ACD/IUPAC Name]
5,13-Bis(3,4-dihydroxyphényl)-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]hénicosa-2,8,10,15,17,19-hexaène-6,9,16,17,19,21-hexol [French] [ACD/IUPAC Name]
8,14-Methano-2H,14H-1,7,9-trioxabenzo[6,7]cycloocta[1,2-a]naphthalene-3,5,10,11,13,15-hexol, 2,8-bis(3,4-dihydroxyphenyl)-3,4-dihydro- [ACD/Index Name]
MRT12113

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

nchembio.87-comp24 [DBID]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 957.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 146.0±3.0 kJ/mol
Flash Point: 532.7±34.3 °C
Index of Refraction: 1.850
Molar Refractivity: 145.1±0.3 cm3
#H bond acceptors: 13
#H bond donors: 10
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 3
ACD/LogP: 0.65
ACD/LogD (pH 5.5): 0.84
ACD/BCF (pH 5.5): 2.57
ACD/KOC (pH 5.5): 68.40
ACD/LogD (pH 7.4): 0.83
ACD/BCF (pH 7.4): 2.53
ACD/KOC (pH 7.4): 67.26
Polar Surface Area: 230 Å2
Polarizability: 57.5±0.5 10-24cm3
Surface Tension: 121.8±3.0 dyne/cm
Molar Volume: 324.8±3.0 cm3

Click to predict properties on the Chemicalize site


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