ChemSpider 2D Image | 4-(3-Oxobutyl)phenyl 6-O-(3,4,5-trihydroxybenzoyl)-beta-L-glucopyranoside | C23H26O11

4-(3-Oxobutyl)phenyl 6-O-(3,4,5-trihydroxybenzoyl)-β-L-glucopyranoside

  • Molecular FormulaC23H26O11
  • Average mass478.446 Da
  • Monoisotopic mass478.147522 Da
  • ChemSpider ID82965857

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

2-Butanone, 4-[4-[[6-O-(3,4,5-trihydroxybenzoyl)-β-L-glucopyranosyl]oxy]phenyl]- [ACD/Index Name]
4-(3-Oxobutyl)phenyl 6-O-(3,4,5-trihydroxybenzoyl)-β-L-glucopyranoside [ACD/IUPAC Name]
4-(3-Oxobutyl)phenyl-6-O-(3,4,5-trihydroxybenzoyl)-β-L-glucopyranosid [German] [ACD/IUPAC Name]
6-O-(3,4,5-Trihydroxybenzoyl)-β-L-glucopyranoside de 4-(3-oxobutyl)phényle [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 785.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 119.8±3.0 kJ/mol
Flash Point: 270.1±26.4 °C
Index of Refraction: 1.648
Molar Refractivity: 116.3±0.3 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 2.03
ACD/LogD (pH 5.5): 0.97
ACD/BCF (pH 5.5): 3.21
ACD/KOC (pH 5.5): 80.11
ACD/LogD (pH 7.4): 0.81
ACD/BCF (pH 7.4): 2.21
ACD/KOC (pH 7.4): 55.12
Polar Surface Area: 183 Å2
Polarizability: 46.1±0.5 10-24cm3
Surface Tension: 70.8±3.0 dyne/cm
Molar Volume: 319.5±3.0 cm3

Click to predict properties on the Chemicalize site


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