ChemSpider 2D Image | sinapaldehyde glucoside | C17H22O9

sinapaldehyde glucoside

  • Molecular FormulaC17H22O9
  • Average mass370.351 Da
  • Monoisotopic mass370.126373 Da
  • ChemSpider ID22913075

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2E)-3-[4-(β-D-Glucopyranosyloxy)-3,5-dimethoxyphenyl]-2-propenal
154461-65-1 [RN]
2,6-Dimethoxy-4-[(1E)-3-oxo-1-propen-1-yl]phenyl β-D-glucopyranoside [ACD/IUPAC Name]
2,6-Dimethoxy-4-[(1E)-3-oxo-1-propen-1-yl]phenyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
2,6-dimethoxy-4-[(1E)-3-oxoprop-1-en-1-yl]phenyl β-D-glucopyranoside
2-Propenal, 3-[4-(β-D-glucopyranosyloxy)-3,5-dimethoxyphenyl]-, (2E)- [ACD/Index Name]
sinapaldehyde glucoside
Sinapyl 4-O-β-D-glucopyranoside aldehyde
β-D-Glucopyranoside de 2,6-diméthoxy-4-[(1E)-3-oxo-1-propén-1-yl]phényle [French] [ACD/IUPAC Name]
(E)-3-[3,5-dimethoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enal
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  • Miscellaneous

    • Chemical Class:

      A beta-D-glucoside resulting from the formal condensation of the phenolic hydroxy group of (E)-sinapaldehyde with beta-D-glucose. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:142126, CHEBI:142126

    • Compound Source:

      Anacardium occidentale PlantCyc CPD-79
      Arabidopsis halleri PlantCyc CPD-79
      Arabidopsis lyrata PlantCyc CPD-79
      Arabidopsis thaliana col PlantCyc CPD-79
      Boechera stricta PlantCyc CPD-79
      Brassica napus PlantCyc CPD-79
      Brassica oleracea var. capitata PlantCyc CPD-79
      Brassica oleracea var. oleracea PlantCyc CPD-79
      Brassica rapa FPsc PlantCyc CPD-79
      Brassica rapa subsp. pekinensis PlantCyc CPD-79
      Capsella rubella PlantCyc CPD-79
      Carica papaya PlantCyc CPD-79
      Cicer arietinum PlantCyc CPD-79
      Citrus clementina PlantCyc CPD-79
      Citrus sinensis PlantCyc CPD-79
      Cucumis sativus PlantCyc CPD-79
      Eucalyptus grandis PlantCyc CPD-79
      Eutrema salsugineum PlantCyc CPD-79
      Glycine max PlantCyc CPD-79
      Gossypium raimondii PlantCyc CPD-79
      Isolated from a plant Susan Richardson [Structure found on ChemSpider, confirmed from DOI: 10.1590/S0100-46702007000300002 and ChEMBL]
      Kalanchoe fedtschenkoi PlantCyc CPD-79
      Linum usitatissimum PlantCyc CPD-79
      Lotus japonicus PlantCyc CPD-79
      Malus domestica PlantCyc CPD-79
      Medicago truncatula PlantCyc CPD-79
      Michelia champaca (Magnoliaceae) Susan Richardson [Structure found on ChemSpider, confirmed from DOI: 10.1590/S0100-46702007000300002 and ChEMBL]
      monolignol glucosides biosynthesis PlantCyc CPD-79
      Phaseolus vulgaris PlantCyc CPD-79
      Prunus persica PlantCyc CPD-79
      Rosa chinensis PlantCyc CPD-79
      Rosa multiflora PlantCyc CPD-79
      Thellungiella parvula PlantCyc CPD-79
      Theobroma cacao PlantCyc CPD-79
      Trifolium pratense PlantCyc CPD-79

    • Bio Activity:

      UDP-alpha-D-glucose + sinapaldehyde -> sinapaldehyde glucoside + UDP + H+ PlantCyc CPD-79

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

Density: 1.4±0.1 g/cm3
Boiling Point: 633.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.4±3.0 kJ/mol
Flash Point: 229.2±25.0 °C
Index of Refraction: 1.612
Molar Refractivity: 91.4±0.3 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: -1.51
ACD/LogD (pH 5.5): -1.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.28
ACD/LogD (pH 7.4): -1.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.28
Polar Surface Area: 135 Å2
Polarizability: 36.2±0.5 10-24cm3
Surface Tension: 57.1±3.0 dyne/cm
Molar Volume: 262.8±3.0 cm3

Click to predict properties on the Chemicalize site


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