ChemSpider 2D Image | Hamamelitannin | C20H20O14

Hamamelitannin

  • Molecular FormulaC20H20O14
  • Average mass484.364 Da
  • Monoisotopic mass484.085297 Da
  • ChemSpider ID20015913

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

207-416-3 [EINECS]
2-C-((Galloyloxy)methyl)-D-ribose 5-gallate
5-O-(3,4,5-Trihydroxybenzoyl)-2-C-{[(3,4,5-trihydroxybenzoyl)oxy]methyl}-D-ribose [ACD/IUPAC Name]
5-O-(3,4,5-Trihydroxybenzoyl)-2-C-{[(3,4,5-trihydroxybenzoyl)oxy]methyl}-D-ribose [German] [ACD/IUPAC Name]
5-O-(3,4,5-Trihydroxybenzoyl)-2-C-{[(3,4,5-trihydroxybenzoyl)oxy]méthyl}-D-ribose [French] [ACD/IUPAC Name]
D-Ribose, 2-C-[[(3,4,5-trihydroxybenzoyl)oxy]methyl]-, 5-(3,4,5-trihydroxybenzoate) [ACD/Index Name]
Hamamelitannin
[(2R,3R,4R)-2,3,4-trihydroxy-2-methanoyl-5-(3,4,5-trihydroxyphenyl)carbonyloxy-pentyl] 3,4,5-trihydroxybenzoate
[(2R,3R,4R)-2-formyl-2,3,4-trihydroxy-5-(3,4,5-trihydroxybenzoyl)oxypentyl] 3,4,5-trihydroxybenzoate
[(2R,3R,4R)-2-formyl-2,3,4-trihydroxy-5-(3,4,5-trihydroxybenzoyl)oxy-pentyl] 3,4,5-trihydroxybenzoate
More...

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

Z4320A2K26 [DBID]
UNII:Z4320A2K26 [DBID]
UNII-Z4320A2K26 [DBID]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 948.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 144.7±3.0 kJ/mol
Flash Point: 330.0±27.8 °C
Index of Refraction: 1.725
Molar Refractivity: 108.5±0.3 cm3
#H bond acceptors: 14
#H bond donors: 9
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 3.12
ACD/LogD (pH 5.5): 1.31
ACD/BCF (pH 5.5): 5.86
ACD/KOC (pH 5.5): 123.07
ACD/LogD (pH 7.4): 1.12
ACD/BCF (pH 7.4): 3.75
ACD/KOC (pH 7.4): 78.83
Polar Surface Area: 252 Å2
Polarizability: 43.0±0.5 10-24cm3
Surface Tension: 112.5±3.0 dyne/cm
Molar Volume: 273.4±3.0 cm3

Click to predict properties on the Chemicalize site


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