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N-methyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]octanamide

N-methyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]octanamide

CAS: 85316-98-9

Formula: C15H31NO6

SMILES: CCCCCCCC(=O)N(C)C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO

IUPAC: N-methyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]octanamide

InChI: InChI=1S/C15H31NO6/c1-3-4-5-6-7-8-13(20)16(2)9-11(18)14(21)15(22)12(19)10-17/h11-12,14-15,17-19,21-22H,3-10H2,1-2H3/t11-,12+,14+,15+/m0/s1

Composition: C (56.05%), H (9.72%), N (4.36%), O (29.87%)

Molar Mass: 321.414

Atom Count: 53

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 4
Exact Mass 321.215137722
Formal Charge 0
FSP3 0.93
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 5
InChIKey SBWGZAXBCCNRTM-CTHBEMJXSA-N
Lipinski's Rule of Five 1
Molar Refractivity 82.03
Topological Polar Surface Area 121.46
Polarizability 32.76
Ring Count 0
Rotatable Bond Count 12

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