| CAS Number | 1009335-39-0 |
| Catalog Number | AG0096X8(AGN-PC-0WBR42) |
| Chemical Name | (2R,4R)-Benzyl 4-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carboxylate |
| IUPAC Name | benzyl (2R,4R)-4-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carboxylate |
| InChI | InChI=1S/C13H17NO4/c15-8-11-6-12(16)7-14(11)13(17)18-9-10-4-2-1-3-5-10/h1-5,11-12,15-16H,6-9H2/t11-,12-/m1/s1 |
| InChI Key | WDEQGLDWZMIMJM-VXGBXAGGSA-N |
| MDL Number | MFCD18837818 |
| Molecular Formula | C13H17NO4 |
| Molecular Weight | 251.2784 |
| SMILES | O[C@@H]1C[C@@H](N(C1)C(=O)OCC1=CC=CC=C1)CO |
| Synonyms | (2R,4R)-Benzyl 4-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carboxylate,
1009335-39-0,
SCHEMBL12164616,
WDEQGLDWZMIMJM-VXGBXAGGSA-N,
ZINC404090,
MFCD18837818,
AKOS027339704,
CS-0060538,
FT-0649321,
(2R,4R) -Phenyl-4-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carboxylate,
benzyl (2R,4R)-4-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carboxylate,
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| Complexity | 278 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 251.116g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 251.282g/mol |
| Monoisotopic Mass | 251.116g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 70A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
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Certificate of Analysis
Lot Number