ChemSpider 2D Image | (2S)-3-{[6-O-(beta-D-Galactopyranosyl)-beta-D-galactopyranosyl]oxy}-1,2-propanediyl (9Z,12Z,15Z,9'Z,12'Z,15'Z)bis(-9,12,15-octadecatrienoate) | C51H84O15

(2S)-3-{[6-O-(β-D-Galactopyranosyl)-β-D-galactopyranosyl]oxy}-1,2-propanediyl (9Z,12Z,15Z,9'Z,12'Z,15'Z)bis(-9,12,15-octadecatrienoate)

  • Molecular FormulaC51H84O15
  • Average mass937.204 Da
  • Monoisotopic mass936.580994 Da
  • ChemSpider ID58829708
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 11 of 11 defined stereocentres


More details:






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

(2S)-3-{[6-O-(β-D-Galactopyranosyl)-β-D-galactopyranosyl]oxy}-1,2-propandiyl-(9Z,12Z,15Z,9'Z,12'Z,15'Z)bis(-9,12,15-octadecatrienoat) [German] [ACD/IUPAC Name]
(2S)-3-{[6-O-(β-D-Galactopyranosyl)-β-D-galactopyranosyl]oxy}-1,2-propanediyl (9Z,12Z,15Z,9'Z,12'Z,15'Z)bis(-9,12,15-octadecatrienoate) [ACD/IUPAC Name]
(9Z,12Z,15Z,9'Z,12'Z,15'Z)Bis(-9,12,15-octadécatriénoate) de (2S)-3-{[6-O-(β-D-galactopyranosyl)-β-D-galactopyranosyl]oxy}-1,2-propanediyle [French] [ACD/IUPAC Name]
9,12,15-Octadecatrienoic acid, (1S)-1-[[(6-O-β-D-galactopyranosyl-β-D-galactopyranosyl)oxy]methyl]-1,2-ethanediyl ester, (9Z,12Z,15Z,9'Z,12'Z,15'Z)- [ACD/Index Name]
1,2-(9Z,12Z,15Z-octadecatrienoyl)-3-O-[&α;-D-galactosyl-(1->6)-O-&;β;-D-galactosyl]-sn-glycerol
1-18:3-2-18:3-digalactosyldiacylglycerol
18:3-18:3-DGDG
  • Miscellaneous
    • Compound Source:

      Aegilops tauschii PlantCyc CPD-8081
      Amaranthus hypochondriacus PlantCyc CPD-8081
      Amborella trichopoda PlantCyc CPD-8081
      Anacardium occidentale PlantCyc CPD-8081
      Ananas comosus PlantCyc CPD-8081
      Aquilegia coerulea PlantCyc CPD-8081
      Arabidopsis halleri PlantCyc CPD-8081
      Arabidopsis lyrata PlantCyc CPD-8081
      Asparagus officinalis PlantCyc CPD-8081
      Beta vulgaris subsp. vulgaris PlantCyc CPD-8081
      Boechera stricta PlantCyc CPD-8081
      Brachypodium distachyon PlantCyc CPD-8081
      Brassica napus PlantCyc CPD-8081
      Brassica oleracea var. capitata PlantCyc CPD-8081
      Brassica oleracea var. oleracea PlantCyc CPD-8081
      Brassica rapa FPsc PlantCyc CPD-8081
      Brassica rapa subsp. pekinensis PlantCyc CPD-8081
      Calotropis gigantea PlantCyc CPD-8081
      Camptotheca acuminata PlantCyc CPD-8081
      Cannabis sativa PlantCyc CPD-8081
      Capsella grandiflora PlantCyc CPD-8081
      Capsella rubella PlantCyc CPD-8081
      Capsicum annuum PlantCyc CPD-8081
      Carica papaya PlantCyc CPD-8081
      Catharanthus roseus PlantCyc CPD-8081
      Chenopodium quinoa PlantCyc CPD-8081
      Chlamydomonas reinhardtii PlantCyc CPD-8081
      Chromochloris zofingiensis PlantCyc CPD-8081
      Cicer arietinum PlantCyc CPD-8081
      Citrus clementina PlantCyc CPD-8081
      Citrus sinensis PlantCyc CPD-8081
      Coccomyxa subellipsoidea C-169 PlantCyc CPD-8081
      Corchorus capsularis PlantCyc CPD-8081
      Cucumis sativus PlantCyc CPD-8081
      Daucus carota subsp. sativus PlantCyc CPD-8081
      Dianthus caryophyllus PlantCyc CPD-8081
      Dioscorea rotundata PlantCyc CPD-8081
      Eucalyptus grandis PlantCyc CPD-8081
      Eutrema salsugineum PlantCyc CPD-8081
      Fragaria vesca subsp. vesca PlantCyc CPD-8081
      Glycine max PlantCyc CPD-8081
      glycolipid desaturation PlantCyc CPD-8081
      Gossypium raimondii PlantCyc CPD-8081
      Helianthus annuus PlantCyc CPD-8081
      Hordeum vulgare subsp. vulgare PlantCyc CPD-8081
      Humulus lupulus var. lupulus PlantCyc CPD-8081
      Kalanchoe fedtschenkoi PlantCyc CPD-8081
      Leersia perrieri PlantCyc CPD-8081
      Linum usitatissimum PlantCyc CPD-8081
      Lotus japonicus PlantCyc CPD-8081
      Malus domestica PlantCyc CPD-8081
      Manihot esculenta PlantCyc CPD-8081
      Marchantia polymorpha PlantCyc CPD-8081
      Medicago truncatula PlantCyc CPD-8081
      Mimulus guttatus PlantCyc CPD-8081
      Miscanthus sinensis PlantCyc CPD-8081
      Musa acuminata PlantCyc CPD-8081
      Nicotiana tabacum PlantCyc CPD-8081
      Olea europaea var. sylvestris PlantCyc CPD-8081
      Oryza brachyantha PlantCyc CPD-8081
      Oryza glaberrima PlantCyc CPD-8081
      Oryza punctata PlantCyc CPD-8081
      Oryza rufipogon PlantCyc CPD-8081
      Oryza sativa Japonica Group PlantCyc CPD-8081
      Panicum hallii PlantCyc CPD-8081
      Panicum virgatum PlantCyc CPD-8081
      Petunia axillaris PlantCyc CPD-8081
      Phaseolus vulgaris PlantCyc CPD-8081
      Physcomitrella patens PlantCyc CPD-8081
      Populus trichocarpa PlantCyc CPD-8081
      Prunus persica PlantCyc CPD-8081
      Ricinus communis PlantCyc CPD-8081
      Rosa chinensis PlantCyc CPD-8081
      Rosa multiflora PlantCyc CPD-8081
      Salvia miltiorrhiza PlantCyc CPD-8081
      Selaginella moellendorffii PlantCyc CPD-8081
      Setaria italica PlantCyc CPD-8081
      Setaria viridis PlantCyc CPD-8081
      Solanum lycopersicum PlantCyc CPD-8081
      Solanum melongena PlantCyc CPD-8081
      Solanum pennellii PlantCyc CPD-8081
      Solanum tuberosum PlantCyc CPD-8081
      Sorghum bicolor PlantCyc CPD-8081
      Sphagnum fallax PlantCyc CPD-8081
      Spinacia oleracea PlantCyc CPD-8081
      Spirodela polyrhiza PlantCyc CPD-8081
      Thellungiella parvula PlantCyc CPD-8081
      Theobroma cacao PlantCyc CPD-8081
      Trifolium pratense PlantCyc CPD-8081
      Triticum aestivum PlantCyc CPD-8081
      Triticum urartu PlantCyc CPD-8081
      Vitis vinifera PlantCyc CPD-8081
      Volvox carteri PlantCyc CPD-8081
      Zea mays subsp. mays PlantCyc CPD-8081
      Zostera marina PlantCyc CPD-8081
    • Bio Activity:

      1-18:2-2-18:3-digalactosyldiacylglycerol + 2 a reduced ferredoxin [iron-sulfur] cluster + oxygen + 2 H+ -> 1-18:3-2-18:3-digalactosyldiacylglycerol + 2 an oxidized ferredoxin [iron-sulfur] cluster + 2 H2O PlantCyc CPD-8081
      1-18:3-2-18:2-digalactosyldiacylglycerol + 2 a reduced ferredoxin [iron-sulfur] cluster + oxygen + 2 H+ -> 1-18:3-2-18:3-digalactosyldiacylglycerol + 2 an oxidized ferredoxin [iron-sulfur] cluster + 2 H2O PlantCyc CPD-8081

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

Density: 1.2±0.1 g/cm3
Boiling Point: 970.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 160.2±6.0 kJ/mol
Flash Point: 264.8±27.8 °C
Index of Refraction: 1.555
Molar Refractivity: 254.8±0.4 cm3
#H bond acceptors: 15
#H bond donors: 7
#Freely Rotating Bonds: 38
#Rule of 5 Violations: 4
ACD/LogP: 11.04
ACD/LogD (pH 5.5): 7.34
ACD/BCF (pH 5.5): 222869.23
ACD/KOC (pH 5.5): 234266.13
ACD/LogD (pH 7.4): 7.34
ACD/BCF (pH 7.4): 222865.81
ACD/KOC (pH 7.4): 234262.52
Polar Surface Area: 231 Å2
Polarizability: 101.0±0.5 10-24cm3
Surface Tension: 55.7±5.0 dyne/cm
Molar Volume: 794.0±5.0 cm3

Click to predict properties on the Chemicalize site






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