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151265-55-3 | 3,4-Pyrrolidinediol, 2-(hydroxymethyl)-5-phenyl-, (2R,3R,4S,5S)-
CAS No: 151265-55-3 Catalog No: AG001N73 MDL No:
Product Description
Catalog Number:
AG001N73
Chemical Name:
3,4-Pyrrolidinediol, 2-(hydroxymethyl)-5-phenyl-, (2R,3R,4S,5S)-
CAS Number:
151265-55-3
Molecular Formula:
C11H15NO3
Molecular Weight:
209.2417
IUPAC Name:
2-(hydroxymethyl)-5-phenylpyrrolidine-3,4-diol
InChI:
InChI=1S/C11H15NO3/c13-6-8-10(14)11(15)9(12-8)7-4-2-1-3-5-7/h1-5,8-15H,6H2
InChI Key:
VXZYWQYETUQRMH-UHFFFAOYSA-N
SMILES:
OC[C@H]1N[C@H]([C@@H]([C@@H]1O)O)c1ccccc1
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.105g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
209.245g/mol
Monoisotopic Mass:
209.105g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
72.7A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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