ChemSpider 2D Image | (2S)-3-(beta-D-Galactopyranosyloxy)-2-[(9Z,12Z)-9,12-octadecadienoyloxy]propyl (9Z,12Z,15Z)-9,12,15-octadecatrienoate | C45H76O10

(2S)-3-(β-D-Galactopyranosyloxy)-2-[(9Z,12Z)-9,12-octadecadienoyloxy]propyl (9Z,12Z,15Z)-9,12,15-octadecatrienoate

  • Molecular FormulaC45H76O10
  • Average mass777.079 Da
  • Monoisotopic mass776.543823 Da
  • ChemSpider ID58829703
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres


More details:






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

(2S)-3-(β-D-Galactopyranosyloxy)-2-[(9Z,12Z)-9,12-octadecadienoyloxy]propyl (9Z,12Z,15Z)-9,12,15-octadecatrienoate [ACD/IUPAC Name]
(2S)-3-(β-D-Galactopyranosyloxy)-2-[(9Z,12Z)-9,12-octadecadienoyloxy]propyl-(9Z,12Z,15Z)-9,12,15-octadecatrienoat [German] [ACD/IUPAC Name]
(9Z,12Z,15Z)-9,12,15-Octadécatriénoate de (2S)-3-(β-D-galactopyranosyloxy)-2-[(9Z,12Z)-9,12-octadecadienoyloxy]propyle [French] [ACD/IUPAC Name]
9,12,15-Octadecatrienoic acid, (2S)-3-(β-D-galactopyranosyloxy)-2-[[(9Z,12Z)-1-oxo-9,12-octadecadien-1-yl]oxy]propyl ester, (9Z,12Z,15Z)- [ACD/Index Name]
1-18:3-2-18:2-monogalactosyldiacylglycerol
18:3-18:2-MGDG
  • Miscellaneous
    • Compound Source:

      Aegilops tauschii PlantCyc CPD-8167
      Amaranthus hypochondriacus PlantCyc CPD-8167
      Amborella trichopoda PlantCyc CPD-8167
      Anacardium occidentale PlantCyc CPD-8167
      Ananas comosus PlantCyc CPD-8167
      Aquilegia coerulea PlantCyc CPD-8167
      Arabidopsis halleri PlantCyc CPD-8167
      Arabidopsis lyrata PlantCyc CPD-8167
      Arabidopsis thaliana col PlantCyc CPD-8167
      Asparagus officinalis PlantCyc CPD-8167
      Beta vulgaris subsp. vulgaris PlantCyc CPD-8167
      Boechera stricta PlantCyc CPD-8167
      Brachypodium distachyon PlantCyc CPD-8167
      Brassica napus PlantCyc CPD-8167
      Brassica oleracea var. capitata PlantCyc CPD-8167
      Brassica oleracea var. oleracea PlantCyc CPD-8167
      Brassica rapa FPsc PlantCyc CPD-8167
      Brassica rapa subsp. pekinensis PlantCyc CPD-8167
      Calotropis gigantea PlantCyc CPD-8167
      Camptotheca acuminata PlantCyc CPD-8167
      Cannabis sativa PlantCyc CPD-8167
      Capsella grandiflora PlantCyc CPD-8167
      Capsella rubella PlantCyc CPD-8167
      Capsicum annuum PlantCyc CPD-8167
      Carica papaya PlantCyc CPD-8167
      Catharanthus roseus PlantCyc CPD-8167
      Chenopodium quinoa PlantCyc CPD-8167
      Chlamydomonas reinhardtii PlantCyc CPD-8167
      Chromochloris zofingiensis PlantCyc CPD-8167
      Cicer arietinum PlantCyc CPD-8167
      Citrus clementina PlantCyc CPD-8167
      Citrus sinensis PlantCyc CPD-8167
      Coccomyxa subellipsoidea C-169 PlantCyc CPD-8167
      Corchorus capsularis PlantCyc CPD-8167
      Cucumis sativus PlantCyc CPD-8167
      Daucus carota subsp. sativus PlantCyc CPD-8167
      Dianthus caryophyllus PlantCyc CPD-8167
      Dioscorea rotundata PlantCyc CPD-8167
      Eucalyptus grandis PlantCyc CPD-8167
      Eutrema salsugineum PlantCyc CPD-8167
      Fragaria vesca subsp. vesca PlantCyc CPD-8167
      Glycine max PlantCyc CPD-8167
      glycolipid desaturation PlantCyc CPD-8167
      Gossypium raimondii PlantCyc CPD-8167
      Helianthus annuus PlantCyc CPD-8167
      Hordeum vulgare subsp. vulgare PlantCyc CPD-8167
      Humulus lupulus var. lupulus PlantCyc CPD-8167
      Kalanchoe fedtschenkoi PlantCyc CPD-8167
      Leersia perrieri PlantCyc CPD-8167
      Linum usitatissimum PlantCyc CPD-8167
      Lotus japonicus PlantCyc CPD-8167
      Malus domestica PlantCyc CPD-8167
      Manihot esculenta PlantCyc CPD-8167
      Marchantia polymorpha PlantCyc CPD-8167
      Medicago truncatula PlantCyc CPD-8167
      Mimulus guttatus PlantCyc CPD-8167
      Miscanthus sinensis PlantCyc CPD-8167
      Musa acuminata PlantCyc CPD-8167
      Nicotiana tabacum PlantCyc CPD-8167
      Olea europaea var. sylvestris PlantCyc CPD-8167
      Oryza brachyantha PlantCyc CPD-8167
      Oryza glaberrima PlantCyc CPD-8167
      Oryza punctata PlantCyc CPD-8167
      Oryza rufipogon PlantCyc CPD-8167
      Oryza sativa Japonica Group PlantCyc CPD-8167
      Panicum hallii PlantCyc CPD-8167
      Panicum virgatum PlantCyc CPD-8167
      Petunia axillaris PlantCyc CPD-8167
      Phaseolus vulgaris PlantCyc CPD-8167
      Physcomitrella patens PlantCyc CPD-8167
      Populus trichocarpa PlantCyc CPD-8167
      Prunus persica PlantCyc CPD-8167
      Ricinus communis PlantCyc CPD-8167
      Rosa chinensis PlantCyc CPD-8167
      Rosa multiflora PlantCyc CPD-8167
      Salvia miltiorrhiza PlantCyc CPD-8167
      Selaginella moellendorffii PlantCyc CPD-8167
      Setaria italica PlantCyc CPD-8167
      Setaria viridis PlantCyc CPD-8167
      Solanum lycopersicum PlantCyc CPD-8167
      Solanum melongena PlantCyc CPD-8167
      Solanum pennellii PlantCyc CPD-8167
      Solanum tuberosum PlantCyc CPD-8167
      Sorghum bicolor PlantCyc CPD-8167
      Sphagnum fallax PlantCyc CPD-8167
      Spinacia oleracea PlantCyc CPD-8167
      Spirodela polyrhiza PlantCyc CPD-8167
      Thellungiella parvula PlantCyc CPD-8167
      Theobroma cacao PlantCyc CPD-8167
      Trifolium pratense PlantCyc CPD-8167
      Triticum aestivum PlantCyc CPD-8167
      Triticum urartu PlantCyc CPD-8167
      Vitis vinifera PlantCyc CPD-8167
      Volvox carteri PlantCyc CPD-8167
      Zea mays subsp. mays PlantCyc CPD-8167
      Zostera marina PlantCyc CPD-8167
    • Bio Activity:

      1-18:2-2-18:2-monogalactosyldiacylglycerol + 2 a reduced ferredoxin [iron-sulfur] cluster + oxygen + 2 H+ -> 1-18:3-2-18:2-monogalactosyldiacylglycerol + 2 an oxidized ferredoxin [iron-sulfur] cluster + 2 H2O PlantCyc CPD-8167
      1-18:3-2-18:2-monogalactosyldiacylglycerol + 2 a reduced ferredoxin [iron-sulfur] cluster + oxygen + 2 H+ -> 1-18:3-2-18:3-monogalactosyldiacylglycerol + 2 an oxidized ferredoxin [iron-sulfur] cluster + 2 H2O PlantCyc CPD-8167

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

Density: 1.1±0.1 g/cm3
Boiling Point: 825.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 136.6±6.0 kJ/mol
Flash Point: 229.5±27.8 °C
Index of Refraction: 1.529
Molar Refractivity: 221.1±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 36
#Rule of 5 Violations: 3
ACD/LogP: 11.95
ACD/LogD (pH 5.5): 9.65
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 4233843.00
ACD/LogD (pH 7.4): 9.65
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 4233815.00
Polar Surface Area: 152 Å2
Polarizability: 87.7±0.5 10-24cm3
Surface Tension: 48.0±5.0 dyne/cm
Molar Volume: 717.6±5.0 cm3

Click to predict properties on the Chemicalize site






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