ChemSpider 2D Image | 13-(3-Acetyl-2,4,6-trihydroxyphenyl)-1,2,3,6,7,8-hexahydroxy-9,17-dioxo-9,11,11a,13,14,15,15a,17-octahydrodibenzo[g,i]pyrano[3,2-b][1,5]dioxacycloundecine-14,15-diyl bis(3,4,5-trihydroxybenzoate) | C42H32O25

13-(3-Acetyl-2,4,6-trihydroxyphenyl)-1,2,3,6,7,8-hexahydroxy-9,17-dioxo-9,11,11a,13,14,15,15a,17-octahydrodibenzo[g,i]pyrano[3,2-b][1,5]dioxacycloundecine-14,15-diyl bis(3,4,5-trihydroxybenzoate)

  • Molecular FormulaC42H32O25
  • Average mass936.688 Da
  • Monoisotopic mass936.123291 Da
  • ChemSpider ID35014982

More details:

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

13-(3-Acetyl-2,4,6-trihydroxyphenyl)-1,2,3,6,7,8-hexahydroxy-9,17-dioxo-9,11,11a,13,14,15,15a,17-octahydrodibenzo[g,i]pyrano[3,2-b][1,5]dioxacycloundecin-14,15-diyl-bis(3,4,5-trihydroxybenzoat) [German] [ACD/IUPAC Name]
13-(3-Acetyl-2,4,6-trihydroxyphenyl)-1,2,3,6,7,8-hexahydroxy-9,17-dioxo-9,11,11a,13,14,15,15a,17-octahydrodibenzo[g,i]pyrano[3,2-b][1,5]dioxacycloundecine-14,15-diyl bis(3,4,5-trihydroxybenzoate) [ACD/IUPAC Name]
Benzoic acid, 3,4,5-trihydroxy-, 13-(3-acetyl-2,4,6-trihydroxyphenyl)-9,11,11a,13,14,15,15a,17-octahydro-1,2,3,6,7,8-hexahydroxy-9,17-dioxodibenzo[g,i]pyrano[3,2-b][1,5]dioxacycloundecin-14,15-diyl es ter [ACD/Index Name]
Bis(3,4,5-trihydroxybenzoate) de 13-(3-acétyl-2,4,6-trihydroxyphényl)-1,2,3,6,7,8-hexahydroxy-9,17-dioxo-9,11,11a,13,14,15,15a,17-octahydrodibenzo[g,i]pyrano[3,2-b][1,5]dioxacycloundécine-14,15-diyle [French] [ACD/IUPAC Name]
13-(3-acetyl-2,4,6-trihydroxyphenyl)-4,5,6,20,21,22-hexahydroxy-8,18-dioxo-11-[(3,4,5-trihydroxyphenyl)carbonyloxy]-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2(7),3,5,19,21-hexaen-12-yl 3,4,5-trihydroxybenzoate
3'-(2'',3''-Digalloyl-4'',6''-hexahydroxydiphenoylglucosyl)-phloroacetophenone

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

Density: 2.1±0.1 g/cm3
Boiling Point: 1402.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 220.9±3.0 kJ/mol
Flash Point: 421.4±27.8 °C
Index of Refraction: 1.903
Molar Refractivity: 209.2±0.4 cm3
#H bond acceptors: 25
#H bond donors: 15
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 4
ACD/LogP: 7.25
ACD/LogD (pH 5.5): 6.04
ACD/BCF (pH 5.5): 22762.61
ACD/KOC (pH 5.5): 45045.14
ACD/LogD (pH 7.4): 4.55
ACD/BCF (pH 7.4): 731.86
ACD/KOC (pH 7.4): 1448.29
Polar Surface Area: 435 Å2
Polarizability: 82.9±0.5 10-24cm3
Surface Tension: 188.1±5.0 dyne/cm
Molar Volume: 448.6±5.0 cm3

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