PFAS
Global PFAS Screening Tool
No. of Substances: 18960
Cyclopenta[c]pyran-4-carboxylic acid, 1,4a,5,7a-tetrahydro-5-hydroxy-1-[[6-O-[2-hydroxy-1-(hydroxymethyl)ethyl]-I(2)-D-glucopyranosyl]oxy]-7-(hydroxymethyl)-, methyl ester, (1S,4aS,5R,7aS)-
CAS Number: 1253964-66-7
IUPAC name: methyl (1S,4aS,5R,7aS)-1-[(2S,3R,4S,5S,6R)-6-(1,3-dihydroxypropan-2-yloxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-5-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate
Molecular formula: C20H30O13
Molecular weight: 478.4
InChI: InChI=1S/C20H30O13/c1-29-18(28)10-6-31-19(13-8(3-21)2-11(24)14(10)13)33-20-17(27)16(26)15(25)12(32-20)7-30-9(4-22)5-23/h2,6,9,11-17,19-27H,3-5,7H2,1H3/t11-,12-,13-,14+,15-,16+,17-,19+,20+/m1/s1
InChIKey: IITIMORRSOFNLI-NZRRXMJFSA-N
SMILES: COC(=O)C1=CO[C@H]([C@H]2[C@@H]1[C@@H](C=C2CO)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(CO)CO)O)O)O
EINECS: -
