1312-74-9 Purity
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Specification
The molecular formula is C16H29CaN5NaO8.
It was created on 2021-09-09.
The molecular weight is 482.5 g/mol.
The IUPAC name is calcium;sodium;2-[bis[2-[carboxylatomethyl-[2-(methylamino)-2-oxoethyl]azaniumyl]ethyl]azaniumyl]acetate.
The InChIKey is YOVKQJBQALQTMU-UHFFFAOYSA-N.
It has 5 hydrogen bond donor counts.
It has 8 hydrogen bond acceptor counts.
The exact mass is 482.1539730 g/mol.
It has 4 rotatable bond counts.
Yes, the compound is canonicalized.