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1240479-07-5 | 1-Piperidinehexanoic acid, 3,4,5-trihydroxy-2-(hydroxymethyl)-, (2R,3S,4R,5S)-
CAS No: 1240479-07-5 Catalog No: AG000LFN MDL No:
Product Description
Catalog Number:
AG000LFN
Chemical Name:
1-Piperidinehexanoic acid, 3,4,5-trihydroxy-2-(hydroxymethyl)-, (2R,3S,4R,5S)-
CAS Number:
1240479-07-5
Molecular Formula:
C12H23NO6
Molecular Weight:
277.3141
IUPAC Name:
6-[(3S,4R)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]hexanoic acid
InChI:
InChI=1S/C12H23NO6/c14-7-8-11(18)12(19)9(15)6-13(8)5-3-1-2-4-10(16)17/h8-9,11-12,14-15,18-19H,1-7H2,(H,16,17)/t8?,9?,11-,12+/m0/s1
InChI Key:
KTNVTDIFZTZBJY-CHCPCTANSA-N
SMILES:
OC[C@H]1N(CCCCCC(=O)O)C[C@@H]([C@H]([C@H]1O)O)O
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
277.153g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
277.317g/mol
Monoisotopic Mass:
277.153g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
122A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.6
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