ChemSpider 2D Image | 2,3,4,5,6,7,14-Heptahydroxy-9,17-dioxo-9,11,11a,13,14,15,15a,17-octahydrodibenzo[g,i]pyrano[3,2-b][1,5]dioxacycloundecine-13,15-diyl bis(3,4,5-trihydroxybenzoate) | C34H26O22

2,3,4,5,6,7,14-Heptahydroxy-9,17-dioxo-9,11,11a,13,14,15,15a,17-octahydrodibenzo[g,i]pyrano[3,2-b][1,5]dioxacycloundecine-13,15-diyl bis(3,4,5-trihydroxybenzoate)

  • Molecular FormulaC34H26O22
  • Average mass786.557 Da
  • Monoisotopic mass786.091553 Da
  • ChemSpider ID413780

More details:

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

2,3,4,5,6,7,14-Heptahydroxy-9,17-dioxo-9,11,11a,13,14,15,15a,17-octahydrodibenzo[g,i]pyrano[3,2-b][1,5]dioxacycloundecin-13,15-diyl-bis(3,4,5-trihydroxybenzoat) [German] [ACD/IUPAC Name]
2,3,4,5,6,7,14-Heptahydroxy-9,17-dioxo-9,11,11a,13,14,15,15a,17-octahydrodibenzo[g,i]pyrano[3,2-b][1,5]dioxacycloundecine-13,15-diyl bis(3,4,5-trihydroxybenzoate) [ACD/IUPAC Name]
Benzoic acid, 3,4,5-trihydroxy-, 9,11,11a,13,14,15,15a,17-octahydro-2,3,4,5,6,7,14-heptahydroxy-9,17-dioxodibenzo[g,i]pyrano[3,2-b][1,5]dioxacycloundecin-13,15-diyl ester [ACD/Index Name]
Bis(3,4,5-trihydroxybenzoate) de 2,3,4,5,6,7,14-heptahydroxy-9,17-dioxo-9,11,11a,13,14,15,15a,17-octahydrodibenzo[g,i]pyrano[3,2-b][1,5]dioxacycloundécine-13,15-diyle [French] [ACD/IUPAC Name]
1,3-Digalloyl-4,6-hexahydroxydiphenoylglucose
1,3-Digalloyl-4,6-HHDP-glucose

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

AIDS070900 [DBID]
AIDS-070900 [DBID]

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

Density: 2.1±0.1 g/cm3
Boiling Point: 1394.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 221.9±3.0 kJ/mol
Flash Point: 435.3±27.8 °C
Index of Refraction: 1.899
Molar Refractivity: 172.0±0.4 cm3
#H bond acceptors: 22
#H bond donors: 13
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 4.42
ACD/LogD (pH 5.5): 2.71
ACD/BCF (pH 5.5): 67.85
ACD/KOC (pH 5.5): 709.86
ACD/LogD (pH 7.4): 2.41
ACD/BCF (pH 7.4): 33.73
ACD/KOC (pH 7.4): 352.89
Polar Surface Area: 377 Å2
Polarizability: 68.2±0.5 10-24cm3
Surface Tension: 190.8±5.0 dyne/cm
Molar Volume: 370.0±5.0 cm3

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