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N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(6-methylpyridin-2-yl)sulfanyl]oxan-3-yl]acetamide

N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(6-methylpyridin-2-yl)sulfanyl]oxan-3-yl]acetamide

CAS: 149263-94-5

Formula: C14H20N2O5S

SMILES: CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1SC1=CC=CC(C)=N1

IUPAC: N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(6-methylpyridin-2-yl)sulfanyl]oxan-3-yl]acetamide

InChI: InChI=1S/C14H20N2O5S/c1-7-4-3-5-10(15-7)22-14-11(16-8(2)18)13(20)12(19)9(6-17)21-14/h3-5,9,11-14,17,19-20H,6H2,1-2H3,(H,16,18)/t9-,11-,12+,13-,14+/m1/s1

Composition: C (51.21%), H (6.14%), N (8.53%), O (24.36%), S (9.76%)

Molar Mass: 328.38

Atom Count: 42

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 5
Exact Mass 328.109292926
Formal Charge 0
FSP3 0.57
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 4
InChIKey XUKXHOMZOIYNLR-FZGMBXNASA-N
Lipinski's Rule of Five 1
Molar Refractivity 80.57
Topological Polar Surface Area 111.91
Polarizability 32.13
Ring Count 2
Rotatable Bond Count 4

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