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113788-70-8 | 3-Pyrrolidinecarboxamide, N-[2,3-dihydroxy-1-(hydroxymethyl)propyl]-1-hydroxy-2,2,5,5-tetramethyl-
CAS No: 113788-70-8 Catalog No: AG0009O2 MDL No:
Product Description
Catalog Number:
AG0009O2
Chemical Name:
3-Pyrrolidinecarboxamide, N-[2,3-dihydroxy-1-(hydroxymethyl)propyl]-1-hydroxy-2,2,5,5-tetramethyl-
CAS Number:
113788-70-8
Molecular Formula:
C13H26N2O5
Molecular Weight:
290.3559
IUPAC Name:
1-hydroxy-2,2,5,5-tetramethyl-N-(1,3,4-trihydroxybutan-2-yl)pyrrolidine-3-carboxamide
InChI:
InChI=1S/C13H26N2O5/c1-12(2)5-8(13(3,4)15(12)20)11(19)14-9(6-16)10(18)7-17/h8-10,16-18,20H,5-7H2,1-4H3,(H,14,19)
InChI Key:
AMPRMQJPOQBXQE-UHFFFAOYSA-N
SMILES:
OCC(C(CO)O)NC(=O)C1CC(N(C1(C)C)O)(C)C
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.184g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
290.36g/mol
Monoisotopic Mass:
290.184g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.5
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