ChemSpider 2D Image | Disulfuretin | C30H18O10

Disulfuretin

  • Molecular FormulaC30H18O10
  • Average mass538.458 Da
  • Monoisotopic mass538.090027 Da
  • ChemSpider ID8182991
  • Double-bond stereo - Double-bond stereo


More details:






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

(2Z,2'Z)-2,2'-[(1Z,2Z)-1,2-Bis(3,4-dihydroxyphenyl)-1,2-ethandiyliden]bis(6-hydroxy-1-benzofuran-3(2H)-on) [German] [ACD/IUPAC Name]
(2Z,2'Z)-2,2'-[(1Z,2Z)-1,2-Bis(3,4-dihydroxyphenyl)-1,2-ethanediylidene]bis(6-hydroxy-1-benzofuran-3(2H)-one) [ACD/IUPAC Name]
(2Z,2'Z)-2,2'-[(1Z,2Z)-1,2-Bis(3,4-dihydroxyphényl)-1,2-éthanediylidène]bis(6-hydroxy-1-benzofuran-3(2H)-one) [French] [ACD/IUPAC Name]
3(2H)-Benzofuranone, 2,2'-[(1Z,2Z)-1,2-bis(3,4-dihydroxyphenyl)-1,2-ethanediylidene]bis[6-hydroxy-, (2Z,2'Z)- [ACD/Index Name]
Disulfuretin
(2Z,2'Z)-2,2'-[(1Z,2Z)-1,2-bis(3,4-dihydroxyphenyl)ethane-1,2-diylidene]bis(6-hydroxy-1-benzofuran-3(2H)-one)
2,2'-[1,2-bis(3,4-dihydroxyphenyl)-1,2-ethanedylidene]bis[6-hydroxy-3(2H)-benzofuranone]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 792.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 119.3±3.0 kJ/mol
Flash Point: 267.7±26.4 °C
Index of Refraction: 1.830
Molar Refractivity: 138.9±0.3 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 3
ACD/LogP: 4.00
ACD/LogD (pH 5.5): 3.52
ACD/BCF (pH 5.5): 275.79
ACD/KOC (pH 5.5): 1925.79
ACD/LogD (pH 7.4): 2.80
ACD/BCF (pH 7.4): 52.28
ACD/KOC (pH 7.4): 365.10
Polar Surface Area: 174 Å2
Polarizability: 55.1±0.5 10-24cm3
Surface Tension: 102.0±3.0 dyne/cm
Molar Volume: 316.5±3.0 cm3

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