ChemSpider 2D Image | 1-(1,2,3,8,13,14,15-Heptahydroxy-5,11-dioxo-5,8,9,11-tetrahydro-7H-dibenzo[g,i][1,5]dioxacycloundecin-7-yl)-1-hydroxy-3-oxo-2-propanyl 3,4,5-trihydroxybenzoate | C27H22O18

1-(1,2,3,8,13,14,15-Heptahydroxy-5,11-dioxo-5,8,9,11-tetrahydro-7H-dibenzo[g,i][1,5]dioxacycloundecin-7-yl)-1-hydroxy-3-oxo-2-propanyl 3,4,5-trihydroxybenzoate

  • Molecular FormulaC27H22O18
  • Average mass634.453 Da
  • Monoisotopic mass634.080627 Da
  • ChemSpider ID166102

More details:

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

1-(1,2,3,8,13,14,15-Heptahydroxy-5,11-dioxo-5,8,9,11-tetrahydro-7H-dibenzo[g,i][1,5]dioxacycloundecin-7-yl)-1-hydroxy-3-oxo-2-propanyl 3,4,5-trihydroxybenzoate [ACD/IUPAC Name]
1-(1,2,3,8,13,14,15-Heptahydroxy-5,11-dioxo-5,8,9,11-tetrahydro-7H-dibenzo[g,i][1,5]dioxacycloundecin-7-yl)-1-hydroxy-3-oxo-2-propanyl-3,4,5-trihydroxybenzoat [German] [ACD/IUPAC Name]
3,4,5-Trihydroxybenzoate de 1-(1,2,3,8,13,14,15-heptahydroxy-5,11-dioxo-5,8,9,11-tétrahydro-7H-dibenzo[g,i][1,5]dioxacycloundécin-7-yl)-1-hydroxy-3-oxo-2-propanyle [French] [ACD/IUPAC Name]
Benzoic acid, 3,4,5-trihydroxy-, 1-formyl-2-hydroxy-2-(5,8,9,11-tetrahydro-1,2,3,8,13,14,15-heptahydroxy-5,11-dioxo-7H-dibenzo[g,i][1,5]dioxacycloundecin-7-yl)ethyl ester [ACD/Index Name]
1-(1,2,3,8,13,14,15-HEPTAHYDROXY-5,11-DIOXO-5,8,9,11-TETRAHYDRO-7H-DIBENZO[G,I][1,5]DIOXACYCLOUNDECIN-7-YL)-1-HYDROXY-3-OXOPROPAN-2-YL 3,4,5-TRIHYDROXYBENZOATE
52934-78-8 [RN]
57061-48-0 [RN]
D-GLUCOSE, ESTERS,CYCLIC 4,6-(4,4',5,5',6,6'-HEXAHYDROXY[1,1'-BIPHENYL]- 2,2'-DICARBOXYLATE) 2-(3,4,5-TRIHYDROXYBENZOATE)
Hippomannin A

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

Density: 1.9±0.1 g/cm3
Boiling Point: 1274.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 199.6±3.0 kJ/mol
Flash Point: 415.6±27.8 °C
Index of Refraction: 1.762
Molar Refractivity: 141.1±0.3 cm3
#H bond acceptors: 18
#H bond donors: 11
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 1.63
ACD/LogD (pH 5.5): 1.06
ACD/BCF (pH 5.5): 3.76
ACD/KOC (pH 5.5): 89.59
ACD/LogD (pH 7.4): 0.83
ACD/BCF (pH 7.4): 2.23
ACD/KOC (pH 7.4): 53.06
Polar Surface Area: 319 Å2
Polarizability: 55.9±0.5 10-24cm3
Surface Tension: 117.6±3.0 dyne/cm
Molar Volume: 342.3±3.0 cm3

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