ChemSpider 2D Image | stachyose | C24H42O21

stachyose

  • Molecular FormulaC24H42O21
  • Average mass666.578 Da
  • Monoisotopic mass666.221863 Da
  • ChemSpider ID388624
  • defined stereocentres - 19 of 19 defined stereocentres


More details:






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

D-Stachyose
stachyose [Wiki]
Stachyose -
α-D-Galactopyranosyl-(1->6)-α-D-galactopyranosyl-(1->6)-α-D-glucopyranoside de β-D-fructofuranosyle [French] [ACD/IUPAC Name]
α-D-Glucopyranoside, β-D-fructofuranosyl O-α-D-galactopyranosyl-(1->6)-O-α-D-galactopyranosyl-(1->6)- [ACD/Index Name]
β-D-Fructofuranosyl α-D-galactopyranosyl-(1->6)-α-D-galactopyranosyl-(1->6)-α-D-glucopyranoside [ACD/IUPAC Name]
β-D-Fructofuranosyl-α-D-galactopyranosyl-(1->6)-α-D-galactopyranosyl-(1->6)-α-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Fructofuranosyl-α-D-galactopyranosyl-(1->6)-α-D-galactopyranosyl-(1->6)-α-D-glucopyranoside
&α;-D-Galp-(1->6)-&α;-D-Galp-(1->6)-&α;-D-Glcp-(1->2)-&β;-D-Fruf
&α;-D-Galp-(1-&gt;6)-&α;-D-Galp-(1->6)-&α;-D-Glcp-(1->2)-&amp;β;-D-Fruf|(2R,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R,6R)-6-[(2R,3R,4S,5R,6R)-6-[(2S,3S,4R,5S)-3,4-dihydroxy-2,5-<i&gt;bis</i>(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxy-oxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

bmse000240 [DBID]
C01613 [DBID]
CHEBI:17164 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Safety:

      IRRITANT Matrix Scientific 098352
    • Target Organs:

      Others TargetMol T2713
    • Chemical Class:

      A tetrasaccharide consisting of sucrose having an <stereo>alpha</stereo>-<stereo>D</stereo>-galactosyl-(1<arrow>right</arrow>6)-<stereo>alpha</stereo>-<stereo>D</stereo>-galactosyl moiety attached at the 6-position of the glucose. ChEBI CHEBI:17164
      A tetrasaccharide consisting of sucrose having an alpha-D-galactosyl-(1right6)-alpha-D-galactosyl moiety attached at ; the 6-position of the glucose. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:17164
    • Compound Source:

      Aegilops tauschii PlantCyc CPD-170
      ajugose biosynthesis I (galactinol-dependent) PlantCyc CPD-170
      ajugose biosynthesis II (galactinol-independent) PlantCyc CPD-170
      Amaranthus hypochondriacus PlantCyc CPD-170
      Amborella trichopoda PlantCyc CPD-170
      Anacardium occidentale PlantCyc CPD-170
      Ananas comosus PlantCyc CPD-170
      Aquilegia coerulea PlantCyc CPD-170
      Arabidopsis halleri PlantCyc CPD-170
      Arabidopsis lyrata PlantCyc CPD-170
      Arabidopsis thaliana col PlantCyc CPD-170
      Asparagus officinalis PlantCyc CPD-170
      Beta vulgaris subsp. vulgaris PlantCyc CPD-170
      Boechera stricta PlantCyc CPD-170
      Brachypodium distachyon PlantCyc CPD-170
      Brassica napus PlantCyc CPD-170
      Brassica oleracea var. capitata PlantCyc CPD-170
      Brassica oleracea var. oleracea PlantCyc CPD-170
      Brassica rapa FPsc PlantCyc CPD-170
      Brassica rapa subsp. pekinensis PlantCyc CPD-170
      Calotropis gigantea PlantCyc CPD-170
      Camptotheca acuminata PlantCyc CPD-170
      Cannabis sativa PlantCyc CPD-170
      Capsella grandiflora PlantCyc CPD-170
      Capsella rubella PlantCyc CPD-170
      Capsicum annuum PlantCyc CPD-170
      Carica papaya PlantCyc CPD-170
      Catharanthus roseus PlantCyc CPD-170
      Chenopodium quinoa PlantCyc CPD-170
      Chlamydomonas reinhardtii PlantCyc CPD-170
      Chromochloris zofingiensis PlantCyc CPD-170
      Cicer arietinum PlantCyc CPD-170
      Citrus clementina PlantCyc CPD-170
      Citrus sinensis PlantCyc CPD-170
      Coccomyxa subellipsoidea C-169 PlantCyc CPD-170
      Corchorus capsularis PlantCyc CPD-170
      Cucumis sativus PlantCyc CPD-170
      Daucus carota subsp. sativus PlantCyc CPD-170
      Dianthus caryophyllus PlantCyc CPD-170
      Dioscorea rotundata PlantCyc CPD-170
      Eucalyptus grandis PlantCyc CPD-170
      Eutrema salsugineum PlantCyc CPD-170
      Fragaria vesca subsp. vesca PlantCyc CPD-170
      Glycine max PlantCyc CPD-170
      Gossypium raimondii PlantCyc CPD-170
      Helianthus annuus PlantCyc CPD-170
      Hordeum vulgare subsp. vulgare PlantCyc CPD-170
      Humulus lupulus var. lupulus PlantCyc CPD-170
      Kalanchoe fedtschenkoi PlantCyc CPD-170
      Kalanchoe laxiflora PlantCyc CPD-170
      Leersia perrieri PlantCyc CPD-170
      Linum usitatissimum PlantCyc CPD-170
      Lotus japonicus PlantCyc CPD-170
      Malus domestica PlantCyc CPD-170
      Manihot esculenta PlantCyc CPD-170
      Marchantia polymorpha PlantCyc CPD-170
      Medicago truncatula PlantCyc CPD-170
      Micromonas commoda RCC299 PlantCyc CPD-170
      Micromonas pusilla CCMP1545 PlantCyc CPD-170
      Mimulus guttatus PlantCyc CPD-170
      Miscanthus sinensis PlantCyc CPD-170
      Musa acuminata PlantCyc CPD-170
      Nicotiana tabacum PlantCyc CPD-170
      Olea europaea var. sylvestris PlantCyc CPD-170
      Oropetium thomaeum PlantCyc CPD-170
      Oryza brachyantha PlantCyc CPD-170
      Oryza glaberrima PlantCyc CPD-170
      Oryza punctata PlantCyc CPD-170
      Oryza rufipogon PlantCyc CPD-170
      Oryza sativa Japonica Group PlantCyc CPD-170
      Ostreococcus lucimarinus PlantCyc CPD-170
      Panicum hallii PlantCyc CPD-170
      Panicum virgatum PlantCyc CPD-170
      Petunia axillaris PlantCyc CPD-170
      Phaseolus vulgaris PlantCyc CPD-170
      Physcomitrella patens PlantCyc CPD-170
      Populus trichocarpa PlantCyc CPD-170
      Prunus persica PlantCyc CPD-170
      Ricinus communis PlantCyc CPD-170
      Rosa chinensis PlantCyc CPD-170
      Rosa multiflora PlantCyc CPD-170
      Salvia miltiorrhiza PlantCyc CPD-170
      Selaginella moellendorffii PlantCyc CPD-170
      Setaria italica PlantCyc CPD-170
      Setaria viridis PlantCyc CPD-170
      Solanum lycopersicum PlantCyc CPD-170
      Solanum melongena PlantCyc CPD-170
      Solanum pennellii PlantCyc CPD-170
      Solanum tuberosum PlantCyc CPD-170
      Sorghum bicolor PlantCyc CPD-170
      Sphagnum fallax PlantCyc CPD-170
      Spinacia oleracea PlantCyc CPD-170
      Spirodela polyrhiza PlantCyc CPD-170
      stachyose biosynthesis PlantCyc CPD-170
      stachyose degradation PlantCyc CPD-170
      Thellungiella parvula PlantCyc CPD-170
      Theobroma cacao PlantCyc CPD-170
      Trifolium pratense PlantCyc CPD-170
      Triticum aestivum PlantCyc CPD-170
      Triticum urartu PlantCyc CPD-170
      Vitis vinifera PlantCyc CPD-170
      Volvox carteri PlantCyc CPD-170
      Zea mays subsp. mays PlantCyc CPD-170
      Zostera marina PlantCyc CPD-170
    • Bio Activity:

      2 raffinose -> stachyose + sucrose PlantCyc CPD-170
      2 stachyose -> verbascose + raffinose PlantCyc CPD-170
      2 verbascose -> ajugose + stachyose PlantCyc CPD-170
      galactinol + raffinose <--> myo-inositol + stachyose PlantCyc CPD-170
      galactinol + raffinose -> myo-inositol + stachyose PlantCyc CPD-170
      Others TargetMol T2713
      stachyose + galactinol -> verbascose + myo-inositol PlantCyc CPD-170
      stachyose + H2O -> raffinose + alpha-D-galactose PlantCyc CPD-170

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.8±0.1 g/cm3
Boiling Point: 1044.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 172.9±6.0 kJ/mol
Flash Point: 585.3±34.3 °C
Index of Refraction: 1.690
Molar Refractivity: 138.3±0.4 cm3
#H bond acceptors: 21
#H bond donors: 14
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: -2.88
ACD/LogD (pH 5.5): -3.85
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.85
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 348 Å2
Polarizability: 54.8±0.5 10-24cm3
Surface Tension: 126.4±5.0 dyne/cm
Molar Volume: 362.0±5.0 cm3

Click to predict properties on the Chemicalize site






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