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125289-31-8 | Acetamide, N-[(3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)-3-piperidinyl]-
CAS No: 125289-31-8 Catalog No: AG000NFC MDL No:
Product Description
Catalog Number:
AG000NFC
Chemical Name:
Acetamide, N-[(3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)-3-piperidinyl]-
CAS Number:
125289-31-8
Molecular Formula:
C8H16N2O5
Molecular Weight:
220.2230
IUPAC Name:
N-[2,4,5-trihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide
InChI:
InChI=1S/C8H16N2O5/c1-3(12)9-5-7(14)6(13)4(2-11)10-8(5)15/h4-8,10-11,13-15H,2H2,1H3,(H,9,12)
InChI Key:
QUMFEBOJFYZWQR-UHFFFAOYSA-N
SMILES:
OC[C@H]1NC(O)[C@@H]([C@H]([C@@H]1O)O)NC(=O)C
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.106g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
220.225g/mol
Monoisotopic Mass:
220.106g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
122A^2
Undefined Atom Stereocenter Count:
5
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.9
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