Search Result : Detailed Informations

Low Mol Weight Allergen Name CAS# CID
Carrageenan / Irish moss / Chondrus(Chondrus crispus) 9000-07-1 11966249
Structure Other Information
Canonical SMILES C1C2C(C(O1)C(C(O2)O)O)OC3C(C(C(C(O3)CO)OS(=O)(=O)[O-])OC4C(C5C(C(O4)CO5)OC6C(C(C(C(O6)CO)OS(=O)(=O)[O-])O)O)O)O
Iso SMILES C1[C@@H]2[C@@H]([C@H](O1)[C@H]([C@H](O2)O)O)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)OS(=O)(=O)[O-])O[C@@H]4[C@@H]([C@@H]5[C@H]([C@H](O4)CO5)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)OS(=O)(=O)[O-])O)O)O)O
InChI InChI=1S/C24H38O25S2/c25-1-5-14(48-50(33,34)35)9(27)10(28)22(42-5)45-16-8-4-40-19(16)12(30)23(44-8)47-20-13(31)24(43-6(2-26)17(20)49-51(36,37)38)46-15-7-3-39-18(15)11(29)21(32)41-7/h5-32H,1-4H2,(H,33,34,35)(H,36,37,38)/p-2/t5-,6-,7-,8-,9-,10-,11-,12-,13-,14+,15+,16+,17+,18-,19-,20-,21+,22+,23-,24+/m1/s1
InChI Key ZNOZWUKQPJXOIG-XSBHQQIPSA-L
Formula C24H36O25S2-2
Mol Weight 788.658
XlogP3 -8.5
Charge -2

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Synonyms Information
CAS Name [(2R,3S,4R,5R,6S)-6-[[(1R,3S,4R,5R,8S)-3,4-dihydroxy-2,6-dioxabicyclo[3.2.1]octan-8-yl]oxy]-4-[[(1R,3R,4R,5R,8S)-8-[[(2S,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-sulfonatooxy-2-oxanyl]oxy]-4-hydroxy-2,6-dioxabicyclo[3.2.1]octan-3-yl]oxy]-5-hydroxy-2-(hydroxymethyl)-3-oxanyl] sulfate
IUPAC Name [(2R,3S,4R,5R,6S)-6-[[(1R,3S,4R,5R,8S)-3,4-dihydroxy-2,6-dioxabicyclo[3.2.1]octan-8-yl]oxy]-4-[[(1R,3R,4R,5R,8S)-8-[(2S,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-sulfonatooxy-tetrahydropyran-2-yl]oxy-4-hydroxy-2,6-dioxabicyclo[3.2.1]octan-3-yl]oxy]-5-hydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl] sulfate
Openeye Name [(2R,3S,4R,5R,6S)-6-[[(1R,3S,4R,5R,8S)-3,4-dihydroxy-2,6-dioxabicyclo[3.2.1]octan-8-yl]oxy]-4-[[(1R,3R,4R,5R,8S)-8-[(2S,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-sulfonatooxyoxan-2-yl]oxy-4-hydroxy-2,6-dioxabicyclo[3.2.1]octan-3-yl]oxy]-5-hydroxy-2-(hydroxymethyl)oxan-3-yl] sulfate
Systematic Name [(2R,3S,4R,5R,6S)-6-[[(1R,3S,4R,5R,8S)-3,4-bis(oxidanyl)-2,6-dioxabicyclo[3.2.1]octan-8-yl]oxy]-2-(hydroxymethyl)-4-[[(1R,3R,4R,5R,8S)-8-[(2S,3R,4R,5R,6R)-6-(hydroxymethyl)-3,4-bis(oxidanyl)-5-sulfonatooxy-oxan-2-yl]oxy-4-oxidanyl-2,6-dioxabicyclo[3.2.1]octan-3-yl]oxy]-5-oxidanyl-oxan-3-yl] sulfate
Tratitional Name [(2R,3S,4R,5R,6S)-6-[[(1R,3S,4R,5R,8S)-3,4-bis(oxidanyl)-2,6-dioxabicyclo[3.2.1]octan-8-yl]oxy]-2-(hydroxymethyl)-4-[[(1R,3R,4R,5R,8S)-8-[(2S,3R,4R,5R,6R)-6-(hydroxymethyl)-3,4-bis(oxidanyl)-5-sulfonatooxy-oxan-2-yl]oxy-4-oxidanyl-2,6-dioxabicyclo[3.2.1]octan-3-yl]oxy]-5-oxidanyl-oxan-3-yl] sulfate