ChemSpider 2D Image | 1-O-(4-Hydroxybenzoyl)-beta-D-glucopyranose | C13H16O8

1-O-(4-Hydroxybenzoyl)-β-D-glucopyranose

  • Molecular FormulaC13H16O8
  • Average mass300.261 Da
  • Monoisotopic mass300.084503 Da
  • ChemSpider ID24700005

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

1-O-(4-Hydroxybenzoyl)-β-D-glucopyranose [German] [ACD/IUPAC Name]
1-O-(4-Hydroxybenzoyl)-β-D-glucopyranose [ACD/IUPAC Name]
1-O-(4-Hydroxybenzoyl)-β-D-glucopyranose [French] [ACD/IUPAC Name]
β-D-Glucopyranose, 1-(4-hydroxybenzoate) [ACD/Index Name]
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 4-hydroxybenzoate
-D-glucose
1-<i>O</i&gt;-4-hydroxybenzoyl-&β
1-<i>O</i&gt;-4-hydroxybenzoyl-&β;-<i>D</i>-glucose
1-<i>O-</i>p-hydroxybenzoyl-&β;-<i>D</i>-glucose
1-<i>O-</i>p-hydroxybenzoyl-&β;-<i>D</i>-glucose|p-hydroxybenzoyl glucose|4-hydroxybenzoyl glucose
More...
  • Miscellaneous

    • Chemical Class:

      An O-acyl carbohydrate that is beta-D-glucopyranose in which the anomeric hydroxy hydrogen has been replaced by a 4-hydroxybenzoyl group. ChEBI CHEBI:145301

    • Compound Source:

      Aegilops tauschii PlantCyc CPD-15283
      Amaranthus hypochondriacus PlantCyc CPD-15283
      Amborella trichopoda PlantCyc CPD-15283
      Anacardium occidentale PlantCyc CPD-15283
      Ananas comosus PlantCyc CPD-15283
      Aquilegia coerulea PlantCyc CPD-15283
      Asparagus officinalis PlantCyc CPD-15283
      Beta vulgaris subsp. vulgaris PlantCyc CPD-15283
      Brachypodium distachyon PlantCyc CPD-15283
      Camptotheca acuminata PlantCyc CPD-15283
      Capsicum annuum PlantCyc CPD-15283
      Chenopodium quinoa PlantCyc CPD-15283
      Cicer arietinum PlantCyc CPD-15283
      Citrus clementina PlantCyc CPD-15283
      Citrus sinensis PlantCyc CPD-15283
      Corchorus capsularis PlantCyc CPD-15283
      cyanidin 3,7-diglucoside polyacylation biosynthesis PlantCyc CPD-15283
      cyanidin diglucoside biosynthesis (acyl-glucose dependent) PlantCyc CPD-15283
      Daucus carota subsp. sativus PlantCyc CPD-15283
      Dianthus caryophyllus PlantCyc CPD-15283
      Dioscorea rotundata PlantCyc CPD-15283
      Eucalyptus grandis PlantCyc CPD-15283
      Fragaria vesca subsp. vesca PlantCyc CPD-15283
      Glycine max PlantCyc CPD-15283
      Gossypium raimondii PlantCyc CPD-15283
      Helianthus annuus PlantCyc CPD-15283
      Hordeum vulgare subsp. vulgare PlantCyc CPD-15283
      Humulus lupulus var. lupulus PlantCyc CPD-15283
      Kalanchoe fedtschenkoi PlantCyc CPD-15283
      Kalanchoe laxiflora PlantCyc CPD-15283
      Leersia perrieri PlantCyc CPD-15283
      Linum usitatissimum PlantCyc CPD-15283
      Malus domestica PlantCyc CPD-15283
      Manihot esculenta PlantCyc CPD-15283
      Medicago truncatula PlantCyc CPD-15283
      Mimulus guttatus PlantCyc CPD-15283
      Miscanthus sinensis PlantCyc CPD-15283
      Musa acuminata PlantCyc CPD-15283
      Nicotiana tabacum PlantCyc CPD-15283
      Olea europaea var. sylvestris PlantCyc CPD-15283
      Oropetium thomaeum PlantCyc CPD-15283
      Oryza brachyantha PlantCyc CPD-15283
      Oryza glaberrima PlantCyc CPD-15283
      Oryza punctata PlantCyc CPD-15283
      Oryza rufipogon PlantCyc CPD-15283
      Oryza sativa Japonica Group PlantCyc CPD-15283
      Panicum hallii PlantCyc CPD-15283
      Panicum virgatum PlantCyc CPD-15283
      Petunia axillaris PlantCyc CPD-15283
      Phaseolus vulgaris PlantCyc CPD-15283
      Populus trichocarpa PlantCyc CPD-15283
      Prunus persica PlantCyc CPD-15283
      Ricinus communis PlantCyc CPD-15283
      Rosa chinensis PlantCyc CPD-15283
      Rosa multiflora PlantCyc CPD-15283
      Salvia miltiorrhiza PlantCyc CPD-15283
      Setaria italica PlantCyc CPD-15283
      Setaria viridis PlantCyc CPD-15283
      Solanum lycopersicum PlantCyc CPD-15283
      Solanum melongena PlantCyc CPD-15283
      Solanum pennellii PlantCyc CPD-15283
      Solanum tuberosum PlantCyc CPD-15283
      Sorghum bicolor PlantCyc CPD-15283
      Spinacia oleracea PlantCyc CPD-15283
      Spirodela polyrhiza PlantCyc CPD-15283
      Theobroma cacao PlantCyc CPD-15283
      Trifolium pratense PlantCyc CPD-15283
      Triticum aestivum PlantCyc CPD-15283
      Triticum urartu PlantCyc CPD-15283
      violdelphin biosynthesis PlantCyc CPD-15283
      Vitis vinifera PlantCyc CPD-15283
      Zea mays subsp. mays PlantCyc CPD-15283

    • Bio Activity:

      cyanidin 3,7-di-O-beta-D-glucoside + 1-O-4-hydroxybenzoyl-beta-D-glucose -> cyanidin 3-O-glucoside-7-O-(6-O-(p-hydroxybenzoyl)-glucoside) + D-glucopyranose PlantCyc CPD-15283
      cyanidin 3-O-glucoside-7-O-(6-O-(4-O-(glucosyl)-oxybenzoyl)-glucoside) + 1-O-4-hydroxybenzoyl-beta-D-glucose -> cyanidin 3-O-glucoside-7-O-(6-O-(4-O-(6-O-(p-hydroxybenzoyl)-glucosyl)-oxybenzoyl)-glucoside) + D-glucopyranose PlantCyc CPD-15283
      cyanidin 3-O-glucoside-7-O-(6-O-(p-hydroxybenzoyl)-glucoside) + 1-O-4-hydroxybenzoyl-beta-D-glucose -> cyanidin 3-O-glucoside-7-O-(6-O-(4-O-(glucosyl)-oxybenzoyl)-glucoside) + 4-hydroxybenzoate + H+ PlantCyc CPD-15283
      cyanidin-3-O-beta-D-glucoside + 1-O-4-hydroxybenzoyl-beta-D-glucose -> cyanidin 3,7-di-O-beta-D-glucoside + 4-hydroxybenzoate PlantCyc CPD-15283
      delphinidin 3-O-rutinoside + 1-O-4-hydroxybenzoyl-beta-D-glucose -> delphinidin 3-O-rutinoside-7-O-glucoside + 4-hydroxybenzoate + H+ PlantCyc CPD-15283
      delphinidin 3-O-rutinoside-7-O-(6-O-(4-O-(glucosyl)-oxybenzoyl)-glucoside) + 1-O-4-hydroxybenzoyl-beta-D-glucose -> violdelphin + D-glucopyranose PlantCyc CPD-15283
      delphinidin 3-O-rutinoside-7-O-(6-O-(p-hydroxybenzoyl)-glucoside) + 1-O-4-hydroxybenzoyl-beta-D-glucose -> delphinidin 3-O-rutinoside-7-O-(6-O-(4-O-(glucosyl)-oxybenzoyl)-glucoside) + 4-hydroxybenzoate + H+ PlantCyc CPD-15283
      delphinidin 3-O-rutinoside-7-O-glucoside + 1-O-4-hydroxybenzoyl-beta-D-glucose -> delphinidin 3-O-rutinoside-7-O-(6-O-(p-hydroxybenzoyl)-glucoside) + D-glucopyranose PlantCyc CPD-15283

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

Density: 1.6±0.1 g/cm3
Boiling Point: 578.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.1±3.0 kJ/mol
Flash Point: 221.6±23.6 °C
Index of Refraction: 1.657
Molar Refractivity: 68.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 1.26
ACD/LogD (pH 5.5): -0.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 23.18
ACD/LogD (pH 7.4): -0.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 18.32
Polar Surface Area: 137 Å2
Polarizability: 27.1±0.5 10-24cm3
Surface Tension: 91.0±5.0 dyne/cm
Molar Volume: 185.7±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement