2-Hydroxybenzoate;2-[(2R,5R)-3,4,5-trihydroxy-6-[2-methoxy-1-[[(2S)-1-methylpyrrolidin-1-ium-2-carbonyl]amino]propyl]oxan-2-yl]sulfanylethyl 2-hydroxybenzoate

Name: 2-Hydroxybenzoate;2-[(2R,5R)-3,4,5-trihydroxy-6-[2-methoxy-1-[[(2S)-1-methylpyrrolidin-1-ium-2-carbonyl]amino]propyl]oxan-2-yl]sulfanylethyl 2-hydroxybenzoate
SKU: ACM5333755
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CAS

5333-75-5

Catalog Number

ACM5333755

Category

Other Products

Molecular Weight

666.736 g/mol

Molecular Formula

C₃₁H₄₂N₂O₁₂S

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Specification

Synonyms

Hygramide, CELESTICETIN, SALICYLATE, U-4819, AC1L2I9Y, LS-52684, 2-hydroxybenzoate; 2-[(2R,5R)-3,4,5-trihydroxy-6-[2-methoxy-1-[[(2S)-1-methylpyrrolidin-1-ium-2-carbonyl]amino]propyl]oxan-2-yl]sulfanylethyl 2-hydroxybenzoate, 5333-75-5

IUPAC Name

2-carboxyphenolate;2-[(2R,5R)-3,4,5-trihydroxy-6-[2-methoxy-1-[[(2S)-1-methylpyrrolidin-1-ium-2-carbonyl]amino]propyl]oxan-2-yl]sulfanylethyl 2-hydroxybenzoate

Canonical SMILES

CC(C(C1C(C(C(C(O1)SCCOC(=O)C2=CC=CC=C2O)O)O)O)NC(=O)C3CCC[NH+]3C)OC.C1=CC=C(C(=C1)C(=O)O)[O-]

InChI Key

AWDLUSYVMFSMPH-XOQKSPJVSA-N

Exact Mass

666.24600

H-Bond Acceptor

H-Bond Donor