ChemSpider 2D Image | TELLIMAGRANDIN I | C34H26O22

TELLIMAGRANDIN I

  • Molecular FormulaC34H26O22
  • Average mass786.557 Da
  • Monoisotopic mass786.091553 Da
  • ChemSpider ID391047
  • defined stereocentres - 4 of 5 defined stereocentres


More details:






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

(11aR,14R,15S,15aR)-2,3,4,5,6,7,13-Heptahydroxy-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]
(11aR,14R,15S,15aR)-2,3,4,5,6,7,13-Heptahydroxy-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-, (11aR,14R,15S,15aR)-9,11,11a,13,14,15,15a,17-octahydro-2,3,4,5,6,7,13-heptahydroxy-9,17-dioxodibenzo[g,i]pyrano[3,2-b][1,5]dioxacycloundecin-14,15-diyl ester [ACD/Index Name]
Bis(3,4,5-trihydroxybenzoate) de (11aR,14R,15S,15aR)-2,3,4,5,6,7,13-heptahydroxy-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]
TELLIMAGRANDIN I
1-Desgalloyleugeniin
79786-08-6 [RN]

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

C10241 [DBID]

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

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: 4.48
ACD/LogD (pH 5.5): 2.45
ACD/BCF (pH 5.5): 42.99
ACD/KOC (pH 5.5): 512.06
ACD/LogD (pH 7.4): 2.15
ACD/BCF (pH 7.4): 21.36
ACD/KOC (pH 7.4): 254.46
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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