ChemSpider 2D Image | Raffinose | C18H32O16

Raffinose

  • Molecular FormulaC18H32O16
  • Average mass504.437 Da
  • Monoisotopic mass504.169037 Da
  • ChemSpider ID388379
  • defined stereocentres - 14 of 14 defined stereocentres


More details:






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

Raffinose [Wiki]
(2R,3R,4S,5S,6R)-2-{[(2S,3S,4S,5R)-3,4-Dihydroxy-2,5-bis(hydroxymethyl)tetrahydro-2-furanyl]oxy}-6-({[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}methyl)tetrahydro-2H-pyran-3,4,5-triol
208-146-9 [EINECS]
512-69-6 [RN]
b-D-Fructofuranosyl-O-a-D-galactopyranosyl-(1®6)-a-D-glucopyranoside
D-(+)-Raffinose
Gossypose
Melitose
MELITRIOSE
N5O3QU595M
More...

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

AI3-19427 [DBID]
AIDS014662 [DBID]
AIDS-014662 [DBID]
bmse000221 [DBID]
C00492 [DBID]
CHEBI:16634 [DBID]
NSC 170228 [DBID]
NSC 2025 [DBID]
NSC170228 [DBID]
NSC2025 [DBID]
  • Experimental Physico-chemical Properties
  • Predicted Physico-chemical Properties
  • Miscellaneous
    • Chemical Class:

      A trisaccharide composed of <stereo>alpha</stereo>-<stereo>D</stereo>-galactopyranose, <stereo>alpha</stereo>-<stereo>D</stereo>-glucopyranose and <stereo>beta</stereo>-<stereo>D</stereo>-fructofurano se joined in sequence by 1<arrow>right</arrow>6 and 1<arrow>leftright</arrow>2 glycosidic linkages, respectively. ChEBI CHEBI:16634
      A trisaccharide composed of alpha-D-galactopyranose, alpha-D-glucopyranose and beta-D-fructofurano; se joined in sequence by 1right6 and 1leftright2 glycosidic linkages, respectively. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:16634
    • Compound Source:

      Aegilops tauschii PlantCyc CPD-1099
      ajugose biosynthesis II (galactinol-independent) PlantCyc CPD-1099
      Amaranthus hypochondriacus PlantCyc CPD-1099
      Amborella trichopoda PlantCyc CPD-1099
      Anacardium occidentale PlantCyc CPD-1099
      Ananas comosus PlantCyc CPD-1099
      Aquilegia coerulea PlantCyc CPD-1099
      Arabidopsis halleri PlantCyc CPD-1099
      Arabidopsis lyrata PlantCyc CPD-1099
      Arabidopsis thaliana col PlantCyc CPD-1099
      Asparagus officinalis PlantCyc CPD-1099
      Beta vulgaris subsp. vulgaris PlantCyc CPD-1099
      Boechera stricta PlantCyc CPD-1099
      Brachypodium distachyon PlantCyc CPD-1099
      Brassica napus PlantCyc CPD-1099
      Brassica oleracea var. capitata PlantCyc CPD-1099
      Brassica oleracea var. oleracea PlantCyc CPD-1099
      Brassica rapa FPsc PlantCyc CPD-1099
      Brassica rapa subsp. pekinensis PlantCyc CPD-1099
      Calotropis gigantea PlantCyc CPD-1099
      Camptotheca acuminata PlantCyc CPD-1099
      Cannabis sativa PlantCyc CPD-1099
      Capsella grandiflora PlantCyc CPD-1099
      Capsella rubella PlantCyc CPD-1099
      Capsicum annuum PlantCyc CPD-1099
      Carica papaya PlantCyc CPD-1099
      Catharanthus roseus PlantCyc CPD-1099
      Chenopodium quinoa PlantCyc CPD-1099
      Chlamydomonas reinhardtii PlantCyc CPD-1099
      Chromochloris zofingiensis PlantCyc CPD-1099
      Cicer arietinum PlantCyc CPD-1099
      Citrus clementina PlantCyc CPD-1099
      Citrus sinensis PlantCyc CPD-1099
      Coccomyxa subellipsoidea C-169 PlantCyc CPD-1099
      Corchorus capsularis PlantCyc CPD-1099
      Cucumis sativus PlantCyc CPD-1099
      Daucus carota subsp. sativus PlantCyc CPD-1099
      Dianthus caryophyllus PlantCyc CPD-1099
      Dioscorea rotundata PlantCyc CPD-1099
      Eucalyptus grandis PlantCyc CPD-1099
      Eutrema salsugineum PlantCyc CPD-1099
      Fragaria vesca subsp. vesca PlantCyc CPD-1099
      Glycine max PlantCyc CPD-1099
      Gossypium raimondii PlantCyc CPD-1099
      Helianthus annuus PlantCyc CPD-1099
      Hordeum vulgare subsp. vulgare PlantCyc CPD-1099
      Humulus lupulus var. lupulus PlantCyc CPD-1099
      Kalanchoe fedtschenkoi PlantCyc CPD-1099
      Kalanchoe laxiflora PlantCyc CPD-1099
      Leersia perrieri PlantCyc CPD-1099
      Linum usitatissimum PlantCyc CPD-1099
      Lotus japonicus PlantCyc CPD-1099
      lychnose and isolychnose biosynthesis PlantCyc CPD-1099
      Malus domestica PlantCyc CPD-1099
      Manihot esculenta PlantCyc CPD-1099
      Marchantia polymorpha PlantCyc CPD-1099
      Medicago truncatula PlantCyc CPD-1099
      Micromonas commoda RCC299 PlantCyc CPD-1099
      Micromonas pusilla CCMP1545 PlantCyc CPD-1099
      Mimulus guttatus PlantCyc CPD-1099
      Miscanthus sinensis PlantCyc CPD-1099
      Musa acuminata PlantCyc CPD-1099
      Nicotiana tabacum PlantCyc CPD-1099
      Olea europaea var. sylvestris PlantCyc CPD-1099
      Oropetium thomaeum PlantCyc CPD-1099
      Oryza brachyantha PlantCyc CPD-1099
      Oryza glaberrima PlantCyc CPD-1099
      Oryza punctata PlantCyc CPD-1099
      Oryza rufipogon PlantCyc CPD-1099
      Oryza sativa Japonica Group PlantCyc CPD-1099
      Ostreococcus lucimarinus PlantCyc CPD-1099
      Panicum hallii PlantCyc CPD-1099
      Panicum virgatum PlantCyc CPD-1099
      Petunia axillaris PlantCyc CPD-1099
      Phaseolus vulgaris PlantCyc CPD-1099
      Physcomitrella patens PlantCyc CPD-1099
      Populus trichocarpa PlantCyc CPD-1099
      Prunus persica PlantCyc CPD-1099
      Ricinus communis PlantCyc CPD-1099
      Rosa chinensis PlantCyc CPD-1099
      Rosa multiflora PlantCyc CPD-1099
      Salvia miltiorrhiza PlantCyc CPD-1099
      Selaginella moellendorffii PlantCyc CPD-1099
      Setaria italica PlantCyc CPD-1099
      Setaria viridis PlantCyc CPD-1099
      Solanum lycopersicum PlantCyc CPD-1099
      Solanum melongena PlantCyc CPD-1099
      Solanum pennellii PlantCyc CPD-1099
      Solanum tuberosum PlantCyc CPD-1099
      Sorghum bicolor PlantCyc CPD-1099
      Sphagnum fallax PlantCyc CPD-1099
      Spinacia oleracea PlantCyc CPD-1099
      Spirodela polyrhiza PlantCyc CPD-1099
      stachyose biosynthesis PlantCyc CPD-1099
      stachyose degradation PlantCyc CPD-1099
      stellariose and mediose biosynthesis PlantCyc CPD-1099
      Thellungiella parvula PlantCyc CPD-1099
      Theobroma cacao PlantCyc CPD-1099
      Trifolium pratense PlantCyc CPD-1099
      Triticum aestivum PlantCyc CPD-1099
      Triticum urartu PlantCyc CPD-1099
      Vitis vinifera PlantCyc CPD-1099
      Volvox carteri PlantCyc CPD-1099
      Zea mays subsp. mays PlantCyc CPD-1099
      Zostera marina PlantCyc CPD-1099
    • Bio Activity:

      2 raffinose -> isolychnose + sucrose PlantCyc CPD-1099
      2 raffinose -> lychnose + sucrose PlantCyc CPD-1099
      2 raffinose -> mediose + sucrose PlantCyc CPD-1099
      2 raffinose -> stachyose + sucrose PlantCyc CPD-1099
      2 stachyose -> verbascose + raffinose PlantCyc CPD-1099
      galactinol + raffinose <--> myo-inositol + stachyose PlantCyc CPD-1099
      galactinol + raffinose -> myo-inositol + stachyose PlantCyc CPD-1099
      galactinol + sucrose -> myo-inositol + raffinose PlantCyc CPD-1099
      raffinose + H2O -> alpha-D-galactose + sucrose PlantCyc CPD-1099
      raffinose + lychnose -> stellariose + sucrose PlantCyc CPD-1099
      stachyose + H2O -> raffinose + alpha-D-galactose PlantCyc CPD-1099

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

Density: 1.8±0.1 g/cm3
Boiling Point: 884.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 146.1±6.0 kJ/mol
Flash Point: 488.9±34.3 °C
Index of Refraction: 1.676
Molar Refractivity: 104.6±0.4 cm3
#H bond acceptors: 16
#H bond donors: 11
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -2.50
ACD/LogD (pH 5.5): -3.89
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.89
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 269 Å2
Polarizability: 41.5±0.5 10-24cm3
Surface Tension: 120.8±5.0 dyne/cm
Molar Volume: 277.9±5.0 cm3

Click to predict properties on the Chemicalize site






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