DTXSID90928608

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

CAS: 13441-63-9

Molecular Formula	`C18H33ClN2O5S`
Molecular Weight	425.0 g/mol
LogP	2.2
Topological Polar Surface Area	128.0 A2
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	7
Rotatable Bonds	7
Exact Mass	424.17987
Heavy Atoms	27
Complexity	502.0

Chemical Identifiers

CAS Number	13441-63-9
SMILES	`CCCC1CC(N(C1)C)C(=O)NC(C2C(C(C(C(O2)SC)O)O)O)C(C)Cl`
InChIKey	`KDLRVYVGXIQJDK-NOWPCOIGSA-N`

📖 Product Overview

DTXSID90928608 (CAS: 13441-63-9) is a chemical compound with molecular formula C18H33ClN2O5S and molecular weight 425.0 g/mol. Its IUPAC systematic name is (2S,4R)-N-[2-chloro-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl]propyl]-1-methyl-4-propylpyrrolidine-2-carboxamide. LogP 2.2 Topological Polar Surface Area 128.0 A2 Hydrogen Bond Donors 4 Hydrogen Bond Acceptors 7 Rotatable Bonds 7 Exact Mass 424.17987 Heavy Atoms 27 Complexity 502.0 InChI Key: KDLRVYVGXIQJDK-NOWPCOIGSA-N. SMILES: CCCC1CC(N(C1)C)C(=O)NC(C2C(C(C(C(O2)SC)O)O)O)C(C)Cl.

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