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114417-84-4 | 2-Piperidinesulfonic acid, 3,4,5-trihydroxy-6-(hydroxymethyl)-, (3R,4S,5R,6R)-
CAS No: 114417-84-4 Catalog No: AG000BA7 MDL No:
Product Description
Catalog Number:
AG000BA7
Chemical Name:
2-Piperidinesulfonic acid, 3,4,5-trihydroxy-6-(hydroxymethyl)-, (3R,4S,5R,6R)-
CAS Number:
114417-84-4
Molecular Formula:
C6H13NO7S
Molecular Weight:
243.2349
IUPAC Name:
(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)piperidine-2-sulfonic acid
InChI:
InChI=1S/C6H13NO7S/c8-1-2-3(9)4(10)5(11)6(7-2)15(12,13)14/h2-11H,1H2,(H,12,13,14)/t2-,3-,4+,5-,6?/m1/s1
InChI Key:
PLICPKOWHZITQE-GASJEMHNSA-N
SMILES:
OC[C@H]1NC([C@@H]([C@H]([C@@H]1O)O)O)S(=O)(=O)O
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
243.041g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
243.23g/mol
Monoisotopic Mass:
243.041g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
156A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-5
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