| CAS Number | 62182-54-1 |
| Catalog Number | AG00EL2R(AGN-PC-0T37A2) |
| Chemical Name | 1,2-Pyrrolidinedicarboxylic acid, 3-hydroxy-, 1-(phenylmethyl) ester,(2S-trans)- |
| IUPAC Name | (2S,3S)-3-hydroxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid |
| InChI | InChI=1S/C13H15NO5/c15-10-6-7-14(11(10)12(16)17)13(18)19-8-9-4-2-1-3-5-9/h1-5,10-11,15H,6-8H2,(H,16,17)/t10-,11-/m0/s1 |
| InChI Key | PXVPQILKAQMLKV-QWRGUYRKSA-N |
| MDL Number | MFCD29917045 |
| Molecular Formula | C13H15NO5 |
| Molecular Weight | 265.2619 |
| SMILES | O=C([C@H]1N(C(OCC2=CC=CC=C2)=O)CC[C@@H]1O)O |
| Synonyms | (2S,3S)-1-[(benzyloxy)carbonyl]-3-hydroxypyrrolidine-2-carboxylic acid,
62182-54-1,
(2S,3S)-1-((Benzyloxy)carbonyl)-3-hydroxypyrrolidine-2-carboxylic acid,
SCHEMBL820518,
(2R,3R)-1-[(benzyloxy)carbonyl]-3-hydroxypyrrolidine-2-carboxylic acid,
PXVPQILKAQMLKV-QWRGUYRKSA-N,
174389-11-8,
MFCD29917045,
ZINC114648491,
AS-55011,
TZ000819,
CS-0037448,
(2S,3S)-3-Hydroxy-pyrrolidine-1,2-dicarboxylic acid 1-benzyl ester,
(2R,3S)-1-[(benzyloxy)carbonyl]-3-hydroxypyrrolidine-2-carboxylicacid,
|
| Complexity | 340 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 265.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 265.265g/mol |
| Monoisotopic Mass | 265.095g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 87.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
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Hazard Class
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\N
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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\N
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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\N
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Certificate of Analysis
Lot Number