| CAS Number | 106864-37-3 |
| Catalog Number | AG008Y6R(AGN-PC-0OWJGE) |
| Chemical Name | FMOC-TYR(SO3H)-OH SODIUM SALT |
| IUPAC Name | sodium;[4-[(2S)-2-carboxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl]phenyl] sulfate |
| InChI | InChI=1S/C24H21NO8S.Na/c26-23(27)22(13-15-9-11-16(12-10-15)33-34(29,30)31)25-24(28)32-14-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21;/h1-12,21-22H,13-14H2,(H,25,28)(H,26,27)(H,29,30,31);/q;+1/p-1/t22-;/m0./s1 |
| InChI Key | WSZCHQPWBPMXJT-FTBISJDPSA-M |
| MDL Number | MFCD00077078 |
| Molecular Formula | C24H20NNaO8S |
| Molecular Weight | 505.4723 |
| SMILES | O=C(O)[C@H](CC1=CC=C(C=C1)OS(=O)([O-])=O)NC(OCC3C2=C(C4=C3C=CC=C4)C=CC=C2)=O.[Na+] |
| Synonyms | Fmoc-O-Sulfo-L-Tyrosine sodium salt,
106864-37-3,
C24H20NO8S.Na,
Fmoc-Tyr(SO3H)-OH sodium,
6978AH,
MFCD00077078,
AKOS032949744,
FMOC-TYR(SO3H)-OH SODIUM SALT,
sodium (S)-4-(2-(((9H-fluoren-9-yl)methoxy)carbonylamino)-2-carboxyethyl)phenyl sulfate,
Fmoc-Tyr(SO3Na)-OH.H2O,
CB12089,
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| Complexity | 804 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 505.081g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 35 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 505.473g/mol |
| Monoisotopic Mass | 505.081g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 150A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number