| CAS Number | 156017-42-4 |
| Catalog Number | AG01DVOA(AGN-PC-0O4GBX) |
| Chemical Name | (R)-methyl 2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-3-iodopropanoate |
| IUPAC Name | methyl (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-iodopropanoate |
| InChI | InChI=1S/C19H18INO4/c1-24-18(22)17(10-20)21-19(23)25-11-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16/h2-9,16-17H,10-11H2,1H3,(H,21,23)/t17-/m0/s1 |
| InChI Key | CWUVRMHOLORRBM-KRWDZBQOSA-N |
| MDL Number | MFCD13189980 |
| Molecular Formula | C19H18INO4 |
| Molecular Weight | 451.2550 |
| SMILES | C1=CC=CC=2C3=CC=CC=C3C(C12)COC(=O)N[C@@H](CI)C(=O)OC |
| Synonyms | 156017-42-4,
N-Fmoc-3-iodo-L-alanine methyl ester,
(+)-METHYL N-FMOC-3-IODO-D-ALANINATE,
SCHEMBL242522,
CWUVRMHOLORRBM-KRWDZBQOSA-N,
ZINC95761657,
AB69517,
(R)-methyl 2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-3-iodopropanoate,
methyl(2R)-2-(((9H-fluoren-9-ylmethoxy)carbonyl)amino)-3-iodopropanoate,
(R)-2-(9H-FLUOREN-9-YLMETHOXYCARBONYLAMINO)-3-IODO-PROPIONIC ACID METHYL ESTER,
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| Complexity | 464 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 451.028g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 451.26g/mol |
| Monoisotopic Mass | 451.028g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 64.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362-P403+P233-P405-P501
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UN Code
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Certificate of Analysis
Lot Number