| CAS Number | 1311992-98-9 |
| Catalog Number | AG000VP8(AGN-PC-0WANFE) |
| Chemical Name | 5-Hexenoic acid, 2-(3-buten-1-yl)-2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]- |
| IUPAC Name | 2-but-3-enyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)hex-5-enoic acid |
| InChI | InChI=1S/C25H27NO4/c1-3-5-15-25(23(27)28,16-6-4-2)26-24(29)30-17-22-20-13-9-7-11-18(20)19-12-8-10-14-21(19)22/h3-4,7-14,22H,1-2,5-6,15-17H2,(H,26,29)(H,27,28) |
| InChI Key | XRCPVOHYIPMKFI-UHFFFAOYSA-N |
| MDL Number | MFCD17215635 |
| Molecular Formula | C25H27NO4 |
| Molecular Weight | 405.4862 |
| SMILES | C=CCCC(CCC=C)(NC(OCC1C2=C(C3=C1C=CC=C3)C=CC=C2)=O)C(O)=O |
| Synonyms | 1311992-98-9,
2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-2-(but-3-en-1-yl)hex-5-enoic acid,
N-Fmoc-2-amino-2-(3-butenyl)hex-5-enoic acid,
AK162459,
3-butenyl)hex-5-enoi c acid,
KS-00000SM6,
MFCD17215635,
AKOS024462962,
ZINC169748464,
ACN-040855,
DS-7803,
AX8294695,
ST24038904,
5-Hexenoic acid, 2-(3-buten-1-yl)-2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-,
N-Fmoc-2-amino-2-(,
XRCPVOHYIPMKFI-UHFFFAOYSA-N,
N-Fmoc-2-amino-2-(3-butenyl)hex-5-enoic acid, 97% - 1G 1g,
1068435-19-7,
|
| Complexity | 597 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 405.194g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 30 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 405.494g/mol |
| Monoisotopic Mass | 405.194g/mol |
| Rotatable Bond Count | 11 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.4 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H332-H335
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Packing Group
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Precautionary statements
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P261-P280-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number