216971-58-3
3-INDOXYL-BETA-D-GLUCURONIC ACID CYCLOHEXYLAMMONIUM SALT
Name3-INDOXYL-BETA-D-GLUCURONIC ACID CYCLOHEXYLAMMONIUM SALT
FormulaC14 H15 N O7 . C6 H13 N
1Identification
【Name】
3-INDOXYL-BETA-D-GLUCURONIC ACID CYCLOHEXYLAMMONIUM SALT
【CAS】
【MDL】
MFCD00083390
【English Synonyms】
【Formula】
C14 H15 N O7 . C6 H13 N
【MolWeight】
408.448
【Inchi】
InChI=1S/C14H15NO7.C6H13N/c16-9-10(17)12(13(19)20)22-14(11(9)18)21-8-5-15-7-4-2-1-3-6(7)8;7-6-4-2-1-3-5-6/h1-5,9-12,14-18H,(H,19,20);6H,1-5,7H2/t9-,10-,11+,12-,14+;/m0./s1
【InChIKey】
InChIKey=YGIPNZMTCTUCAX-CYRSAHDMSA-N
【SMILES】
c1ccc2c(c1)c(c[nH]2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O.C1CCC(CC1)N
【MOL File】
3-INDOXYL-BETA-D-GLU….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:5
H bond acceptor:8
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
【WGK Germany】
3
4CML File
3-INDOXYL-BETA-D-GLUCURONIC ACID CYCLOHEXYLAMMONIUM SALT.cml