Molecular Weight (g/mol)

628.7

Molecular Formula

C30H48N2O12

InChI

InChI=1S/2C13H21NO3.C4H6O6/c2*1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15;5-1(3(7)8)2(6)4(9)10/h2*4-6,12,14-17H,7-8H2,1-3H3;1-2,5-6H,(H,7,8)(H,9,10)/t2*12-;1-,2-/m001/s1

InChIKey

VNVNZKCCDVFGAP-FPDJQMMJSA-N

SMILES

CC(C)(C)NC[C@@H](C1=CC(=C(C=C1)O)CO)O.CC(C)(C)NC[C@@H](C1=CC(=C(C=C1)O)CO)O.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O

IUPAC Name

4-[(1R)-2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol;(2R,3R)-2,3-dihydroxybutanedioic acid

Exact Mass (Da)

628.32072497

Monoisotopic Mass (Da)

628.32072497