59470-49-4
2-(2-ISONICOTINOYLHYDRAZINO)-D-GLUCOPYRANURONIC ACID SODIUM SALT DIHYDRATE
Name2-(2-ISONICOTINOYLHYDRAZINO)-D-GLUCOPYRANURONIC ACID SODIUM SALT DIHYDRATE
FormulaC12 H14 N3 O7 . Na . 2 H2 O
1Identification
【Name】
2-(2-ISONICOTINOYLHYDRAZINO)-D-GLUCOPYRANURONIC ACID SODIUM SALT DIHYDRATE
【CAS】
【MDL】
MFCD01725272
【English Synonyms】
【Formula】
C12 H14 N3 O7 . Na . 2 H2 O
【MolWeight】
371.276
【Inchi】
InChI=1S/C12H15N3O7.Na.2H2O/c16-7-6(12(21)22-9(8(7)17)11(19)20)14-15-10(18)5-1-3-13-4-2-5;;;/h1-4,6-9,12,14,16-17,21H,(H,15,18)(H,19,20);;2*1H2/q;+1;;/p-1/t6-,7-,8+,9+,12-;;;/m1.../s1
【InChIKey】
InChIKey=ZVHWIXFDYRJATF-SQPRDBJESA-M
【SMILES】
c1cnccc1C(=O)NN[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2O)C(=O)[O-])O)O.O.O.[Na+]
【MOL File】
2-(2-ISONICOTINOYLHY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:5
H bond acceptor:10
XLogP3:-1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-(2-ISONICOTINOYLHYDRAZINO)-D-GLUCOPYRANURONIC ACID SODIUM SALT DIHYDRATE.cml