| CAS Number | 882847-05-4 |
| Catalog Number | AG008AHV(AGN-PC-01A9TE) |
| Chemical Name | 15-Tritylmercapto-4,7,10,13-tetraoxapentadecanoic acid monohydrate |
| IUPAC Name | 3-[2-[2-[2-(2-tritylsulfanylethoxy)ethoxy]ethoxy]ethoxy]propanoic acid;hydrate |
| InChI | InChI=1S/C30H36O6S.H2O/c31-29(32)16-17-33-18-19-34-20-21-35-22-23-36-24-25-37-30(26-10-4-1-5-11-26,27-12-6-2-7-13-27)28-14-8-3-9-15-28;/h1-15H,16-25H2,(H,31,32);1H2 |
| InChI Key | QACKFJOUHFJFAP-UHFFFAOYSA-N |
| MDL Number | MFCD08457832 |
| Molecular Formula | C30H38O7S |
| Molecular Weight | 542.6835 |
| SMILES | OC(=O)CCOCCOCCOCCOCCSC(c1ccccc1)(c1ccccc1)c1ccccc1.O |
| Synonyms | 882847-05-4,
15-TRITYLMERCAPTO-4,7,10,13-TETRAOXAPENTADECANOIC ACID MONOHYDRATE,
C30H36O6S.H2O,
CTK3E6704,
DTXSID90589238,
4656AH,
KM2596,
AKOS025404049,
RT-006564,
1,1,1-Triphenyl-5,8,11,14-tetraoxa-2-thiaheptadecan-17-oic acid--water (1/1),
Trt-S-Dpeg(4)-Cooh,
|
| Complexity | 539 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 542.234g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 38 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 542.687g/mol |
| Monoisotopic Mass | 542.234g/mol |
| Rotatable Bond Count | 19 |
| Topological Polar Surface Area | 101A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number