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162600-04-6 | 3,4-Pyrrolidinediol, 2-methyl-, (2S,3S,4S)-
CAS No: 162600-04-6 Catalog No: AG001T97 MDL No:
Product Description
Catalog Number:
AG001T97
Chemical Name:
3,4-Pyrrolidinediol, 2-methyl-, (2S,3S,4S)-
CAS Number:
162600-04-6
Molecular Formula:
C5H11NO2
Molecular Weight:
117.1463
IUPAC Name:
(2S,3S,4S)-2-methylpyrrolidine-3,4-diol
InChI:
InChI=1S/C5H11NO2/c1-3-5(8)4(7)2-6-3/h3-8H,2H2,1H3/t3-,4-,5-/m0/s1
InChI Key:
MUXHUWTVFOHVKD-YUPRTTJUSA-N
SMILES:
O[C@H]1CN[C@H]([C@@H]1O)C
Properties
Complexity:
86.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
117.079g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
117.148g/mol
Monoisotopic Mass:
117.079g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.2
Literature
| Title | Journal |
|---|---|
| The spirocyclopropyl moiety as a methyl surrogate in the structure of l-fucosidase and l-rhamnosidase inhibitors. | Bioorganic & medicinal chemistry 20091201 |
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