94159-64-5 Purity
96%
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Specification
The molecular formula is C28H57N3O8S.
The molecular weight is 595.8 g/mol.
It was created on 2008-12-10.
The IUPAC name is azanium;4-[1-[[(Z)-octadec-9-enoyl]amino]propan-2-yloxy]-4-oxo-3-sulfonatobutanoate;propan-2-ylazanium.
The Canonical SMILES is CCCCCCCCC=CCCCCCCCC(=O)NCC(C)OC(=O)C(CC(=O)[O-])S(=O)(=O)[O-].CC(C)[NH3+].[NH4+].
The InChIKey is JPZAHCNEFAGBBS-PQBRBDCOSA-N.
The CAS number is 94159-68-9.
There are 3 hydrogen bond donor counts.
The exact mass is 595.38663696 g/mol.
There are 21 rotatable bond counts.