70803-54-2
6-O-ALPHA-D-GALACTOPYRANOSYL-D-GLUCONIC ACID POTASSIUM SALT
Name6-O-ALPHA-D-GALACTOPYRANOSYL-D-GLUCONIC ACID POTASSIUM SALT
1Identification
【Name】
6-O-ALPHA-D-GALACTOPYRANOSYL-D-GLUCONIC ACID POTASSIUM SALT
【CAS】
【MDL】
MFCD00038467
【English Synonyms】
【Formula】
C12 H21 O12 . K
【MolWeight】
396.384
【Inchi】
InChI=1S/C12H22O12.K/c13-1-4-6(16)8(18)10(20)12(24-4)23-2-3(14)5(15)7(17)9(19)11(21)22;/h3-10,12-20H,1-2H2,(H,21,22);/q;+1/p-1/t3-,4-,5-,6+,7+,8+,9-,10-,12+;/m1./s1
【InChIKey】
InChIKey=LYTADIGCJNIRFQ-YDTVZKOVSA-M
【SMILES】
C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OC[C@H]([C@H]([C@@H]([C@H](C(=O)[O-])O)O)O)O)O)O)O)O.[K+]
【MOL File】
6-O-ALPHA-D-GALACTOP….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:8
H bond acceptor:12
XLogP3:-4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
6-O-ALPHA-D-GALACTOPYRANOSYL-D-GLUCONIC ACID POTASSIUM SALT.cml