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177483-06-6 | 3,4-Pyrrolidinediol, 2-(fluoromethyl)-5-(hydroxymethyl)-, (2S,3R,4R,5R)-
CAS No: 177483-06-6 Catalog No: AG0025CO MDL No:
Product Description
Catalog Number:
AG0025CO
Chemical Name:
3,4-Pyrrolidinediol, 2-(fluoromethyl)-5-(hydroxymethyl)-, (2S,3R,4R,5R)-
CAS Number:
177483-06-6
Molecular Formula:
C6H12FNO3
Molecular Weight:
165.1628
IUPAC Name:
(2S,3R,4R,5R)-2-(fluoromethyl)-5-(hydroxymethyl)pyrrolidine-3,4-diol
InChI:
InChI=1S/C6H12FNO3/c7-1-3-5(10)6(11)4(2-9)8-3/h3-6,8-11H,1-2H2/t3-,4-,5-,6-/m1/s1
InChI Key:
RQRPPKMLOWHAKS-KVTDHHQDSA-N
SMILES:
OC[C@H]1N[C@@H]([C@H]([C@@H]1O)O)CF
Properties
Complexity:
135
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
165.08g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
165.164g/mol
Monoisotopic Mass:
165.08g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
72.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3
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