ChemSpider 2D Image | 3,5-bis-O-(3,4,5-trihydroxybenzoyl)-2-C-{[(3,4,5-trihydroxybenzoyl)oxy]methyl}pentofuranose | C27H24O18

3,5-bis-O-(3,4,5-trihydroxybenzoyl)-2-C-{[(3,4,5-trihydroxybenzoyl)oxy]methyl}pentofuranose

  • Molecular FormulaC27H24O18
  • Average mass636.469 Da
  • Monoisotopic mass636.096252 Da
  • ChemSpider ID23134473

More details:

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

3,5-bis-O-(3,4,5-trihydroxybenzoyl)-2-C-{[(3,4,5-trihydroxybenzoyl)oxy]methyl}pentofuranose [ACD/IUPAC Name]
3,5-Bis-O-(3,4,5-trihydroxybenzoyl)-2-C-{[(3,4,5-trihydroxybenzoyl)oxy]methyl}pentofuranose [German] [ACD/IUPAC Name]
3,5-Bis-O-(3,4,5-trihydroxybenzoyl)-2-C-{[(3,4,5-trihydroxybenzoyl)oxy]méthyl}pentofuranose [French] [ACD/IUPAC Name]
pentofuranose, 2-C-[[(3,4,5-trihydroxybenzoyl)oxy]methyl]-, 3,5-bis(3,4,5-trihydroxybenzoate) [ACD/Index Name]
[4,5-dihydroxy-3-(3,4,5-trihydroxybenzoyloxy)-4-[(3,4,5-trihydroxybenzoyloxy)methyl]oxolan-2-yl]methyl 3,4,5-trihydroxybenzoate
2',3,5-Tri-O-galloylhamamelofuranose
3-O-Galloylhamamelitannin
4,5-dihydroxy-2,4-bis({[(3,4,5-trihydroxyphenyl)carbonyloxy]methyl})oxolan-3-yl 3,4,5-trihydroxybenzoate
4,5-dihydroxy-3-(3,4,5-trihydroxyphenylcarbonyloxy)-2,4-di(3,4,5-trihydroxyphenylcarbonyloxymethyl)tetrahydrofuran

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

Density: 2.0±0.0 g/cm3
Boiling Point: 1096.6±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 168.7±0.0 kJ/mol
Flash Point: 360.8±0.0 °C
Index of Refraction: 1.826
Molar Refractivity: 139.9±0.0 cm3
#H bond acceptors: 18
#H bond donors: 11
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 3
ACD/LogP: 4.72
ACD/LogD (pH 5.5): 4.72
ACD/BCF (pH 5.5): 2258.89
ACD/KOC (pH 5.5): 8749.03
ACD/LogD (pH 7.4): 4.69
ACD/BCF (pH 7.4): 2148.67
ACD/KOC (pH 7.4): 8322.14
Polar Surface Area: 311 Å2
Polarizability: 55.5±0.0 10-24cm3
Surface Tension: 162.2±0.0 dyne/cm
Molar Volume: 319.6±0.0 cm3

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