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138738-21-3 | 2-Piperidinecarboxylic acid, 3-(2-phosphonoacetyl)-, (2R,3S)-
CAS No: 138738-21-3 Catalog No: AG0019G6 MDL No:
Product Description
Catalog Number:
AG0019G6
Chemical Name:
2-Piperidinecarboxylic acid, 3-(2-phosphonoacetyl)-, (2R,3S)-
CAS Number:
138738-21-3
Molecular Formula:
C8H14NO6P
Molecular Weight:
251.1736
IUPAC Name:
3-(2-phosphonoacetyl)piperidine-2-carboxylic acid
InChI:
InChI=1S/C8H14NO6P/c10-6(4-16(13,14)15)5-2-1-3-9-7(5)8(11)12/h5,7,9H,1-4H2,(H,11,12)(H2,13,14,15)
InChI Key:
YEEABICQMLEYCN-UHFFFAOYSA-N
SMILES:
O=C([C@H]1CCCN[C@H]1C(=O)O)CP(=O)(O)O
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.056g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
251.175g/mol
Monoisotopic Mass:
251.056g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-4.5
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