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Home > Pyridines > 188744-99-2
188744-99-2 | 3,4-Pyrrolidinediol, 2-(hydroxymethyl)-5-(3-pyridinyl)-, (2R,3R,4S,5S)-
CAS No: 188744-99-2 Catalog No: AG002H9N MDL No:
Product Description
Catalog Number:
AG002H9N
Chemical Name:
3,4-Pyrrolidinediol, 2-(hydroxymethyl)-5-(3-pyridinyl)-, (2R,3R,4S,5S)-
CAS Number:
188744-99-2
Molecular Formula:
C10H14N2O3
Molecular Weight:
210.2298
IUPAC Name:
(2S,3S,4S,5S)-2-(hydroxymethyl)-5-pyridin-3-ylpyrrolidine-3,4-diol
InChI:
InChI=1S/C10H14N2O3/c13-5-7-9(14)10(15)8(12-7)6-2-1-3-11-4-6/h1-4,7-10,12-15H,5H2/t7-,8-,9-,10-/m0/s1
InChI Key:
YKQJXKWVPPIKJY-XKNYDFJKSA-N
SMILES:
OC[C@H]1N[C@H]([C@@H]([C@@H]1O)O)c1cccnc1
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
210.1g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
210.233g/mol
Monoisotopic Mass:
210.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
85.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3
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