AG006ZK5

13500-53-3 | (2S,4R)-1,2-Dicarbobenzyloxy-4-hydroxypyrrolidine

AG006ZK5

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CAS Number	13500-53-3
Catalog Number	AG006ZK5(AGN-PC-0PKGL1)
Chemical Name	(2S,4R)-1,2-Dicarbobenzyloxy-4-hydroxypyrrolidine
IUPAC Name	dibenzyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate
InChI	InChI=1S/C20H21NO5/c22-17-11-18(19(23)25-13-15-7-3-1-4-8-15)21(12-17)20(24)26-14-16-9-5-2-6-10-16/h1-10,17-18,22H,11-14H2/t17-,18+/m1/s1
InChI Key	XHKMBFDLCAZWCR-MSOLQXFVSA-N
MDL Number	MFCD12407103
Molecular Formula	C20H21NO5
Molecular Weight	355.3844
SMILES	O=C(N1[C@H](C(OCC2=CC=CC=C2)=O)C[C@@H](O)C1)OCC3=CC=CC=C3
Synonyms	13500-53-3, (2S,4R)-1,2-Dicarbobenzyloxy-4-hydroxypyrrolidine, (2S,4R)-Dibenzyl 4-hydroxypyrrolidine-1,2-dicarboxylate, (2S,4R)-4-HYDROXY-1,2-PYRROLIDINEDICARBOXYLIC ACID 1,2-BIS(PHENYLMETHYL) ESTER, SCHEMBL2678864, CTK4B9600, DTXSID20472548, ANW-74430, MFCD12407103, ZINC36434204, AKOS015836771, AKOS015896280, AJ-92830, AB0033008, DB-063054, TR-030527, X6459, I06-2167, 1-(Benzyloxycarbonyl)-4beta-hydroxyproline benzyl ester, dibenzyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate, 1,2-dibenzyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate, N-(benzyloxycarbonyl)-trans-4-hydroxy-l-proline benzyl ester, DIBENZYL (2S,4R)-4-HYDROXY-1,2-PYRROLIDINEDICARBOXYLATE, 1,2-Pyrrolidinedicarboxylicacid, 4-hydroxy-, 1,2-bis(phenylmethyl) ester, (2S,4R)-, 1,2-Pyrrolidinedicarboxylicacid,4-hydroxy-,1,2-bis(phenylmethyl)ester,(2S,4R)-, C20H21NO5, XHKMBFDLCAZWCR-MSOLQXFVSA-N, CB11637, CID11783205, N-carbobenzyloxy-hydroxyproline, benzyl ester, ?2s?4r?-1?2-dicarbobenzyloxy-4-hydroxypyrrolidine, (2S,4R)-1,,2-dicarbobenzyloxy-4-hydroxypyrrolidine,

Complexity	471
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	355.142g/mol
Formal Charge	0
Heavy Atom Count	26
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	355.39g/mol
Monoisotopic Mass	355.142g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	76.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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