ChemSpider 2D Image | (2S)-2,3-Bis[[(9Z,12Z,15Z)-1-oxo-9,12,15-octadecatrien-1-yl]oxy]propyl β-D-galactopyranoside | C45H74O10

(2S)-2,3-Bis[[(9Z,12Z,15Z)-1-oxo-9,12,15-octadecatrien-1-yl]oxy]propyl β-D-galactopyranoside

  • Molecular FormulaC45H74O10
  • Average mass775.063 Da
  • Monoisotopic mass774.528198 Da
  • ChemSpider ID10197135

  • 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)-2,3-Bis[[(9Z,12Z,15Z)-1-oxo-9,12,15-octadecatrien-1-yl]oxy]propyl β-D-galactopyranoside
(2S)-3-(β-D-Galactopyranosyloxy)-1,2-propandiyl-(9Z,12Z,15Z,9'Z,12'Z,15'Z)bis(-9,12,15-octadecatrienoat) [German] [ACD/IUPAC Name]
(2S)-3-(β-D-Galactopyranosyloxy)-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-(β-D-galactopyranosyloxy)-1,2-propanediyle [French] [ACD/IUPAC Name]
63180-02-9 [RN]
9,12,15-Octadecatrienoic acid, (1S)-2-(β-D-galactopyranosyloxy)-1-[[[(9Z,12Z,15Z)-1-oxo-9,12,15-octadecatrien-1-yl]oxy]methyl]ethyl ester, (9Z,12Z,15Z)- [ACD/Index Name]
(2S)-1,2-di-O-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]-3-O-β-d-galactopyranosyl glycerol
(2S)-3-(β-D-galactopyranosyloxy)propane-1,2-diyl (9Z,12Z,15Z,9'Z,12'Z,15'Z)bis-octadeca-9,12,15-trienoate
1,2 di-(9Z,12Z,15Z-octadecatrienoyl)-3-O-β-D-galactosyl-sn-glycerol
1,2-(9Z,12Z,15Z-octadecatrienoyl)-3-O-β-D-galactosyl-sn-glycerol
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  • Miscellaneous

    • Compound Source:

      Aegilops tauschii PlantCyc CPD-8168
      Amaranthus hypochondriacus PlantCyc CPD-8168
      Amborella trichopoda PlantCyc CPD-8168
      Anacardium occidentale PlantCyc CPD-8168
      Ananas comosus PlantCyc CPD-8168
      Aquilegia coerulea PlantCyc CPD-8168
      Arabidopsis halleri PlantCyc CPD-8168
      Arabidopsis lyrata PlantCyc CPD-8168
      Arabidopsis thaliana col PlantCyc CPD-8168
      Asparagus officinalis PlantCyc CPD-8168
      Beta vulgaris subsp. vulgaris PlantCyc CPD-8168
      Boechera stricta PlantCyc CPD-8168
      Brachypodium distachyon PlantCyc CPD-8168
      Brassica napus PlantCyc CPD-8168
      Brassica oleracea var. capitata PlantCyc CPD-8168
      Brassica oleracea var. oleracea PlantCyc CPD-8168
      Brassica rapa FPsc PlantCyc CPD-8168
      Brassica rapa subsp. pekinensis PlantCyc CPD-8168
      Calotropis gigantea PlantCyc CPD-8168
      Camptotheca acuminata PlantCyc CPD-8168
      Cannabis sativa PlantCyc CPD-8168
      Capsella grandiflora PlantCyc CPD-8168
      Capsella rubella PlantCyc CPD-8168
      Capsicum annuum PlantCyc CPD-8168
      Carica papaya PlantCyc CPD-8168
      Catharanthus roseus PlantCyc CPD-8168
      Chenopodium quinoa PlantCyc CPD-8168
      Chlamydomonas reinhardtii PlantCyc CPD-8168
      Chromochloris zofingiensis PlantCyc CPD-8168
      Cicer arietinum PlantCyc CPD-8168
      Citrus clementina PlantCyc CPD-8168
      Citrus sinensis PlantCyc CPD-8168
      Coccomyxa subellipsoidea C-169 PlantCyc CPD-8168
      Corchorus capsularis PlantCyc CPD-8168
      Cucumis sativus PlantCyc CPD-8168
      Daucus carota subsp. sativus PlantCyc CPD-8168
      Dianthus caryophyllus PlantCyc CPD-8168
      Dioscorea rotundata PlantCyc CPD-8168
      Eucalyptus grandis PlantCyc CPD-8168
      Eutrema salsugineum PlantCyc CPD-8168
      Fragaria vesca subsp. vesca PlantCyc CPD-8168
      Glycine max PlantCyc CPD-8168
      glycolipid desaturation PlantCyc CPD-8168
      Gossypium raimondii PlantCyc CPD-8168
      Helianthus annuus PlantCyc CPD-8168
      Hordeum vulgare subsp. vulgare PlantCyc CPD-8168
      Humulus lupulus var. lupulus PlantCyc CPD-8168
      Kalanchoe fedtschenkoi PlantCyc CPD-8168
      Leersia perrieri PlantCyc CPD-8168
      Linum usitatissimum PlantCyc CPD-8168
      Lotus japonicus PlantCyc CPD-8168
      Malus domestica PlantCyc CPD-8168
      Manihot esculenta PlantCyc CPD-8168
      Marchantia polymorpha PlantCyc CPD-8168
      Medicago truncatula PlantCyc CPD-8168
      Mimulus guttatus PlantCyc CPD-8168
      Miscanthus sinensis PlantCyc CPD-8168
      Musa acuminata PlantCyc CPD-8168
      Nicotiana tabacum PlantCyc CPD-8168
      Olea europaea var. sylvestris PlantCyc CPD-8168
      Oryza brachyantha PlantCyc CPD-8168
      Oryza glaberrima PlantCyc CPD-8168
      Oryza punctata PlantCyc CPD-8168
      Oryza rufipogon PlantCyc CPD-8168
      Oryza sativa Japonica Group PlantCyc CPD-8168
      Panicum hallii PlantCyc CPD-8168
      Panicum virgatum PlantCyc CPD-8168
      Petunia axillaris PlantCyc CPD-8168
      Phaseolus vulgaris PlantCyc CPD-8168
      Physcomitrella patens PlantCyc CPD-8168
      Populus trichocarpa PlantCyc CPD-8168
      Prunus persica PlantCyc CPD-8168
      Ricinus communis PlantCyc CPD-8168
      Rosa chinensis PlantCyc CPD-8168
      Rosa multiflora PlantCyc CPD-8168
      Salvia miltiorrhiza PlantCyc CPD-8168
      Selaginella moellendorffii PlantCyc CPD-8168
      Setaria italica PlantCyc CPD-8168
      Setaria viridis PlantCyc CPD-8168
      Solanum lycopersicum PlantCyc CPD-8168
      Solanum melongena PlantCyc CPD-8168
      Solanum pennellii PlantCyc CPD-8168
      Solanum tuberosum PlantCyc CPD-8168
      Sorghum bicolor PlantCyc CPD-8168
      Sphagnum fallax PlantCyc CPD-8168
      Spinacia oleracea PlantCyc CPD-8168
      Spirodela polyrhiza PlantCyc CPD-8168
      Thellungiella parvula PlantCyc CPD-8168
      Theobroma cacao PlantCyc CPD-8168
      Trifolium pratense PlantCyc CPD-8168
      Triticum aestivum PlantCyc CPD-8168
      Triticum urartu PlantCyc CPD-8168
      Vitis vinifera PlantCyc CPD-8168
      Volvox carteri PlantCyc CPD-8168
      Zea mays subsp. mays PlantCyc CPD-8168
      Zostera marina PlantCyc CPD-8168

    • Bio Activity:

      1-18:2-2-18:3-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-8168
      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-8168

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

Density: 1.1±0.1 g/cm3
Boiling Point: 825.8±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: 230.1±27.8 °C
Index of Refraction: 1.534
Molar Refractivity: 221.1±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 35
#Rule of 5 Violations: 3
ACD/LogP: 11.27
ACD/LogD (pH 5.5): 8.85
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1556717.25
ACD/LogD (pH 7.4): 8.85
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1556706.88
Polar Surface Area: 152 Å2
Polarizability: 87.6±0.5 10-24cm3
Surface Tension: 48.6±5.0 dyne/cm
Molar Volume: 710.9±5.0 cm3

Click to predict properties on the Chemicalize site


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