ChemSpider 2D Image | 2-Hydroxy-4-(3-oxobutyl)phenyl 6-O-(4-hydroxybenzoyl)-beta-D-glucopyranoside | C23H26O10

2-Hydroxy-4-(3-oxobutyl)phenyl 6-O-(4-hydroxybenzoyl)-β-D-glucopyranoside

  • Molecular FormulaC23H26O10
  • Average mass462.447 Da
  • Monoisotopic mass462.152588 Da
  • ChemSpider ID62959273

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

2-Butanone, 4-[3-hydroxy-4-[[6-O-(4-hydroxybenzoyl)-β-D-glucopyranosyl]oxy]phenyl]- [ACD/Index Name]
2-Hydroxy-4-(3-oxobutyl)phenyl 6-O-(4-hydroxybenzoyl)-β-D-glucopyranoside [ACD/IUPAC Name]
2-Hydroxy-4-(3-oxobutyl)phenyl-6-O-(4-hydroxybenzoyl)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-O-(4-Hydroxybenzoyl)-β-D-glucopyranoside de 2-hydroxy-4-(3-oxobutyl)phényle [French] [ACD/IUPAC Name]
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[2-hydroxy-4-(3-oxobutyl)phenoxy]oxan-2-yl]methyl 4-hydroxybenzoate
1236273-88-3 [RN]
salviaplebeiaside

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

Density: 1.4±0.1 g/cm3
Boiling Point: 716.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.9±3.0 kJ/mol
Flash Point: 246.2±26.4 °C
Index of Refraction: 1.631
Molar Refractivity: 114.4±0.3 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 1.41
ACD/LogD (pH 5.5): 1.06
ACD/BCF (pH 5.5): 3.75
ACD/KOC (pH 5.5): 89.61
ACD/LogD (pH 7.4): 0.98
ACD/BCF (pH 7.4): 3.11
ACD/KOC (pH 7.4): 74.37
Polar Surface Area: 163 Å2
Polarizability: 45.3±0.5 10-24cm3
Surface Tension: 65.0±3.0 dyne/cm
Molar Volume: 321.1±3.0 cm3

Click to predict properties on the Chemicalize site


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