(2S,4R)-N-[(1S)-2-hydroxy-1-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl]propyl]-1-methyl-4-propylpyrrolidine-2-carboxamide

CAS: 12768-69-3

Molecular Formula	`C18H34N2O6S`
Molecular Weight	406.5 g/mol
LogP	0.2
Topological Polar Surface Area	148.0 A2
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	8
Rotatable Bonds	7
Exact Mass	406.21375
Heavy Atoms	27
Complexity	498.0

Chemical Identifiers

CAS Number	12768-69-3
SMILES	`CCCC1CC(N(C1)C)C(=O)NC(C2C(C(C(C(O2)SC)O)O)O)C(C)O`
InChIKey	`OJMMVQQUTAEWLP-ZUWRKQLMSA-N`

📖 Product Overview

(2S,4R)-N-[(1S)-2-hydroxy-1-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl]propyl]-1-methyl-4-propylpyrrolidine-2-carboxamide (CAS: 12768-69-3) is a chemical compound with molecular formula C18H34N2O6S and molecular weight 406.5 g/mol. Its IUPAC systematic name is (2S,4R)-N-[(1S)-2-hydroxy-1-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl]propyl]-1-methyl-4-propylpyrrolidine-2-carboxamide. LogP 0.2 Topological Polar Surface Area 148.0 A2 Hydrogen Bond Donors 5 Hydrogen Bond Acceptors 8 Rotatable Bonds 7 Exact Mass 406.21375 Heavy Atoms 27 Complexity 498.0 InChI Key: OJMMVQQUTAEWLP-ZUWRKQLMSA-N. SMILES: CCCC1CC(N(C1)C)C(=O)NC(C2C(C(C(C(O2)SC)O)O)O)C(C)O.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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Multi-source research profile: chemical properties, regulatory status, and sourcing guide for (2S,4R)-N-[(1S)-2-hydroxy-1-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl]propyl]-1-methyl-4-propylpyrrolidine-2-carboxamide.

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