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277298-32-5 | 1-Piperidineacetic acid, 3,4-dihydroxy-5-propyl-, (3S,4S,5R)-
CAS No: 277298-32-5 Catalog No: AG002ULP MDL No:
Product Description
Catalog Number:
AG002ULP
Chemical Name:
1-Piperidineacetic acid, 3,4-dihydroxy-5-propyl-, (3S,4S,5R)-
CAS Number:
277298-32-5
Molecular Formula:
C10H19NO4
Molecular Weight:
217.2622
IUPAC Name:
2-[(3S,4S,5R)-3,4-dihydroxy-5-propylpiperidin-1-yl]acetic acid
InChI:
InChI=1S/C10H19NO4/c1-2-3-7-4-11(6-9(13)14)5-8(12)10(7)15/h7-8,10,12,15H,2-6H2,1H3,(H,13,14)/t7-,8+,10+/m1/s1
InChI Key:
RRZRFLJAGRLBRS-WEDXCCLWSA-N
SMILES:
CCC[C@@H]1CN(CC(=O)O)C[C@@H]([C@H]1O)O
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
217.131g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
217.265g/mol
Monoisotopic Mass:
217.131g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
81A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.2
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