Search Result : Detailed Informations

Low Mol Weight Allergen Name CAS# CID
Alginic acid 9005-32-7 6850754
Structure Other Information
Canonical SMILES COC1C(C(C(OC1C(=O)O)OC2C(C(C(OC2C(=O)O)OC)O)O)O)O
Iso SMILES COC1C(C(C(OC1C(=O)O)OC2C(C(C(OC2C(=O)O)OC)O)O)O)O
InChI InChI=1S/C14H22O13/c1-23-7-3(15)6(18)14(27-9(7)11(19)20)25-8-4(16)5(17)13(24-2)26-10(8)12(21)22/h3-10,13-18H,1-2H3,(H,19,20)(H,21,22)
InChI Key GKFPPCXIBHQRQT-UHFFFAOYSA-N
Formula C14H22O13
Mol Weight 398.317
XlogP3 -3.7
Charge 0

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Synonyms Information
CAS Name 6-[(2-carboxy-4,5-dihydroxy-6-methoxy-3-oxanyl)oxy]-4,5-dihydroxy-3-methoxy-2-oxanecarboxylic acid
IUPAC Name 6-(2-carboxy-4,5-dihydroxy-6-methoxy-tetrahydropyran-3-yl)oxy-4,5-dihydroxy-3-methoxy-tetrahydropyran-2-carboxylic acid
Openeye Name 6-(2-carboxy-4,5-dihydroxy-6-methoxyoxan-3-yl)oxy-4,5-dihydroxy-3-methoxyoxane-2-carboxylic acid
Systematic Name 6-[2-carboxy-6-methoxy-4,5-bis(oxidanyl)oxan-3-yl]oxy-3-methoxy-4,5-bis(oxidanyl)oxane-2-carboxylic acid
Tratitional Name 6-[2-carboxy-6-methoxy-4,5-bis(oxidanyl)oxan-3-yl]oxy-3-methoxy-4,5-bis(oxidanyl)oxane-2-carboxylic acid