ChemSpider 2D Image | TERFLAVIN B | C34H24O22

TERFLAVIN B

  • Molecular FormulaC34H24O22
  • Average mass784.541 Da
  • Monoisotopic mass784.075928 Da
  • ChemSpider ID24713417
  • defined stereocentres - 4 of 5 defined stereocentres


More details:






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

6-O-(3,4,5-Trihydroxybenzoyl)-4-O-[3,4,5-trihydroxy-2-(2,3,7,8-tetrahydroxy-5,10-dioxo-5,10-dihydrochromeno[5,4,3-cde]chromen-1-yl)benzoyl]-D-glucopyranose [German] [ACD/IUPAC Name]
6-O-(3,4,5-Trihydroxybenzoyl)-4-O-[3,4,5-trihydroxy-2-(2,3,7,8-tetrahydroxy-5,10-dioxo-5,10-dihydrochromeno[5,4,3-cde]chromen-1-yl)benzoyl]-D-glucopyranose [ACD/IUPAC Name]
6-O-(3,4,5-Trihydroxybenzoyl)-4-O-[3,4,5-trihydroxy-2-(2,3,7,8-tétrahydroxy-5,10-dioxo-5,10-dihydrochroméno[5,4,3-cde]chromén-1-yl)benzoyl]-D-glucopyranose [French] [ACD/IUPAC Name]
D-Glucopyranose, 4-[2-(5,10-dihydro-2,3,7,8-tetrahydroxy-5,10-dioxo[1]benzopyrano[5,4,3-cde][1]benzopyran-1-yl)-3,4,5-trihydroxybenzoate] 6-(3,4,5-trihydroxybenzoate) [ACD/Index Name]
TERFLAVIN B

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

Density: 2.2±0.1 g/cm3
Boiling Point: 1346.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 212.8±3.0 kJ/mol
Flash Point: 423.3±27.8 °C
Index of Refraction: 1.957
Molar Refractivity: 170.0±0.4 cm3
#H bond acceptors: 22
#H bond donors: 13
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 1.84
ACD/LogD (pH 5.5): -2.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.09
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 377 Å2
Polarizability: 67.4±0.5 10-24cm3
Surface Tension: 215.4±5.0 dyne/cm
Molar Volume: 350.3±5.0 cm3

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