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Home> Hot Product Listed K   > KB-255436
50986-18-0 structure

KB-255436

Iupac Name:(3S,4R,5R)-oxane-2,3,4,5-tetrol
CAS No.:50986-18-0
Molecular Weight:150.1299
Molecular Formula:C22H19FN4O3 (isomer)
Names and Identifiers
Synonyms

CTK6J1986 methyl 2-[4-(3-piperidinyloxy)phenyl]acetate methyl 2-[4-(piperidin-3-yloxy)phenyl]acetate methyl 2-[4-(piperidin-3-yloxy)phenyl]acetate hcl

Inchi
InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3-,4+,5?/m1/s1
InChkey
SRBFZHDQGSBBOR-ZRMNMSDTSA-N
Canonical Smiles
C1C(C(C(C(O1)O)O)O)O
Isomers Smiles
C1[C@H]([C@H]([C@@H](C(O1)O)O)O)O
Computational chemical data
  • Molecular Weight:150.1299g/mol
  • Molecular Formula:C22H19FN4O3
  • Exact Mass:150.052823
  • Monoisotopic Mass:150.052823
  • Complexity:117
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:4
  • Hydrogen Bond Acceptor Count:5
  • Topological Polar Surface Area:90.2
  • Heavy Atom Count:10
  • Defined Atom Stereocenter Count:3
  • Undefined Atom Stereocenter Count:1
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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