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188744-98-1 | 3,4-Pyrrolidinediol, 2-(hydroxymethyl)-5-(4-hydroxyphenyl)-, (2R,3R,4S,5S)-
CAS No: 188744-98-1 Catalog No: AG002H8B MDL No:
Product Description
Catalog Number:
AG002H8B
Chemical Name:
3,4-Pyrrolidinediol, 2-(hydroxymethyl)-5-(4-hydroxyphenyl)-, (2R,3R,4S,5S)-
CAS Number:
188744-98-1
Molecular Formula:
C11H15NO4
Molecular Weight:
225.2411
IUPAC Name:
(2S,3S,4S,5S)-2-(hydroxymethyl)-5-(4-hydroxyphenyl)pyrrolidine-3,4-diol
InChI:
InChI=1S/C11H15NO4/c13-5-8-10(15)11(16)9(12-8)6-1-3-7(14)4-2-6/h1-4,8-16H,5H2/t8-,9-,10-,11-/m0/s1
InChI Key:
BRPXIQPSCKPBLH-NAKRPEOUSA-N
SMILES:
OC[C@H]1N[C@H]([C@@H]([C@@H]1O)O)c1ccc(cc1)O
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
225.1g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
225.244g/mol
Monoisotopic Mass:
225.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
93A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
Literature
| Title | Journal |
|---|---|
| Two new pyrrolidine alkaloids, radicamines A and B, as inhibitors of alpha-glucosidase from Lobelia chinensis Lour. | Chemical & pharmaceutical bulletin 20011001 |
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