ChemSpider 2D Image | 3,4-Dihydroxy-5-[(2,3,7,8-tetrahydroxy-5,10-dioxo-5,10-dihydrochromeno[5,4,3-cde]chromen-1-yl)oxy]benzoic acid | C21H10O13

3,4-Dihydroxy-5-[(2,3,7,8-tetrahydroxy-5,10-dioxo-5,10-dihydrochromeno[5,4,3-cde]chromen-1-yl)oxy]benzoic acid

  • Molecular FormulaC21H10O13
  • Average mass470.296 Da
  • Monoisotopic mass470.012146 Da
  • ChemSpider ID30776755

More details:

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

3,4-Dihydroxy-5-[(2,3,7,8-tetrahydroxy-5,10-dioxo-5,10-dihydrochromeno[5,4,3-cde]chromen-1-yl)oxy]benzoesäure [German] [ACD/IUPAC Name]
3,4-Dihydroxy-5-[(2,3,7,8-tetrahydroxy-5,10-dioxo-5,10-dihydrochromeno[5,4,3-cde]chromen-1-yl)oxy]benzoic acid [ACD/IUPAC Name]
Acide 3,4-dihydroxy-5-[(2,3,7,8-tétrahydroxy-5,10-dioxo-5,10-dihydrochroméno[5,4,3-cde]chromén-1-yl)oxy]benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-[(5,10-dihydro-2,3,7,8-tetrahydroxy-5,10-dioxo[1]benzopyrano[5,4,3-cde][1]benzopyran-1-yl)oxy]-4,5-dihydroxy- [ACD/Index Name]
3,4-dihydroxy-5-({6,7,13,14-tetrahydroxy-3,10-dioxo-2,9-dioxatetracyclo[6.6.2.0?,???.0????,???]hexadeca-1(15),4,6,8(16),11,13-hexaen-5-yl}oxy)benzoic acid
3,4-dihydroxy-5-({6,7,13,14-tetrahydroxy-3,10-dioxo-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4(16),5,7,11(15),12-hexaen-5-yl}oxy)benzoic acid
3,4-dihydroxy-5-({6,7,13,14-tetrahydroxy-3,10-dioxo-2,9-dioxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadeca-1(15),4,6,8(16),11,13-hexaen-5-yl}oxy)benzoic acid
82203-11-0 [RN]
Sanguisobic acid dilactone
Sanguisorbic acid dilactone

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

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

Density: 2.1±0.1 g/cm3
Boiling Point: 910.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 138.7±3.0 kJ/mol
Flash Point: 325.1±27.8 °C
Index of Refraction: 1.896
Molar Refractivity: 104.9±0.3 cm3
#H bond acceptors: 13
#H bond donors: 7
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 1.49
ACD/LogD (pH 5.5): -1.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.76
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 221 Å2
Polarizability: 41.6±0.5 10-24cm3
Surface Tension: 146.3±3.0 dyne/cm
Molar Volume: 226.2±3.0 cm3

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