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1788041-58-6 | D-Proline, 3-hydroxy-, (3S)-rel-, 2,2,2-trifluoroacetate (1:1)
CAS No: 1788041-58-6 Catalog No: AG0026CD MDL No:MFCD28975424
Product Description
Catalog Number:
AG0026CD
Chemical Name:
D-Proline, 3-hydroxy-, (3S)-rel-, 2,2,2-trifluoroacetate (1:1)
CAS Number:
1788041-58-6
Molecular Formula:
C7H10F3NO5
Molecular Weight:
245.1532
MDL Number:
MFCD28975424
IUPAC Name:
(2R,3S)-3-hydroxypyrrolidine-2-carboxylic acid;2,2,2-trifluoroacetic acid
InChI:
InChI=1S/C5H9NO3.C2HF3O2/c7-3-1-2-6-4(3)5(8)9;3-2(4,5)1(6)7/h3-4,6-7H,1-2H2,(H,8,9);(H,6,7)/t3-,4+;/m0./s1
InChI Key:
JPFWVYBLNMYLMA-RFKZQXLXSA-N
SMILES:
OC(=O)C(F)(F)F.O[C@H]1CCN[C@H]1C(=O)O
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
245.051g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
245.154g/mol
Monoisotopic Mass:
245.051g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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