2,5-Dimethylphenylzinciodide

Catalog Number	ACM7659952-1
CAS Number	7659-95-2
Structure
Synonyms	(2S)-4-[2-[(2S)-2-Carboxy-5-(β-D-glucopyranosyloxy)-2,3-dihydro-6-hydroxy-1H-indol-1-yl]ethenyl]-2,3-dihydro-2,6-pyridinedicarboxylic acid
Molecular Weight	550.5
InChI	InChI=1S/C24H26N2O13/c27-8-17-18(29)19(30)20(31)24(39-17)38-16-6-10-5-14(23(36)37)26(13(10)7-15(16)28)2-1-9-3-11(21(32)33)25-12(4-9)22(34)35/h1-3,6-7,12,14,17-20,24,27,29-31H,4-5,8H2,(H4,28,32,33,34,35,36,37)/t12?,14?,17-,18-,19+,20-,24-/m1/s1
InChI Key	DHHFDKNIEVKVKS-UWTTYFQQSA-N
Purity	98%+
Complexity	1070
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	5
Exact Mass	550.14348889
Heavy Atom Count	39
Hydrogen Bond Acceptor Count	14
Hydrogen Bond Donor Count	8
Isomeric SMILES	C\1C(NC(=C/C1=C/C=[N+]2C(CC3=CC(=C(C=C32)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C(=O)[O-])C(=O)O)C(=O)O
Monoisotopic Mass	550.14348889
PhysicalState	Powder
Rotatable Bond Count	6
Topological Polar Surface Area	249 Ų

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