ChemSpider 2D Image | EGCG Octaacetate | C38H34O19

EGCG Octaacetate

  • Molecular FormulaC38H34O19
  • Average mass794.665 Da
  • Monoisotopic mass794.169434 Da
  • ChemSpider ID9962320

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R,3R)-5,7-Diacetoxy-2-(3,4,5-triacetoxyphenyl)-3,4-dihydro-2H-chromen-3-yl 3,4,5-triacetoxybenzoate [ACD/IUPAC Name]
(2R,3R)-5,7-Diacetoxy-2-(3,4,5-triacetoxyphenyl)-3,4-dihydro-2H-chromen-3-yl-3,4,5-triacetoxybenzoat [German] [ACD/IUPAC Name]
148707-39-5 [RN]
3,4,5-Triacétoxybenzoate de (2R,3R)-5,7-diacétoxy-2-(3,4,5-triacétoxyphényl)-3,4-dihydro-2H-chromén-3-yle [French] [ACD/IUPAC Name]
Benzoic acid, 3,4,5-tris(acetyloxy)-, (2R,3R)-5,7-bis(acetyloxy)-3,4-dihydro-2-[3,4,5-tris(acetyloxy)phenyl]-2H-1-benzopyran-3-yl ester [ACD/Index Name]
EGCG Octaacetate
3,4,5-tris(acetyloxy)-benzoic acid, (2R,3R)-5,7-bis(acetyloxy)-3,4-dihydro-2-[3,4,5-tris(acetyloxy)phenyl]-2H-1-benzopyran-3-yl ester
AcEGCG
MFCD11983067

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

Density: 1.5±0.1 g/cm3
Boiling Point: 879.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 127.9±3.0 kJ/mol
Flash Point: 351.9±34.3 °C
Index of Refraction: 1.600
Molar Refractivity: 185.1±0.4 cm3
#H bond acceptors: 19
#H bond donors: 0
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 2
ACD/LogP: 0.15
ACD/LogD (pH 5.5): 2.63
ACD/BCF (pH 5.5): 58.54
ACD/KOC (pH 5.5): 640.87
ACD/LogD (pH 7.4): 2.63
ACD/BCF (pH 7.4): 58.54
ACD/KOC (pH 7.4): 640.87
Polar Surface Area: 246 Å2
Polarizability: 73.4±0.5 10-24cm3
Surface Tension: 67.7±5.0 dyne/cm
Molar Volume: 541.3±5.0 cm3

Click to predict properties on the Chemicalize site


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