| CAS Number | 25359-71-1 |
| Catalog Number | AG00C1AT(AGN-PC-0R15N8) |
| Chemical Name | Dipentaerythritol Hexakis(3-mercaptopropionate) |
| EC Number | 246-893-2 |
| IUPAC Name | [3-(3-sulfanylpropanoyloxy)-2-[[3-(3-sulfanylpropanoyloxy)-2,2-bis(3-sulfanylpropanoyloxymethyl)propoxy]methyl]-2-(3-sulfanylpropanoyloxymethyl)propyl] 3-sulfanylpropanoate |
| InChI | InChI=1S/C28H46O13S6/c29-21(1-7-42)36-15-27(16-37-22(30)2-8-43,17-38-23(31)3-9-44)13-35-14-28(18-39-24(32)4-10-45,19-40-25(33)5-11-46)20-41-26(34)6-12-47/h42-47H,1-20H2 |
| InChI Key | YAAUVJUJVBJRSQ-UHFFFAOYSA-N |
| MDL Number | MFCD00128217 |
| Molecular Formula | C28H46O13S6 |
| Molecular Weight | 783.0470 |
| SMILES | O=C(OCC(COCC(COC(CCS)=O)(COC(CCS)=O)COC(CCS)=O)(COC(CCS)=O)COC(CCS)=O)CCS |
| Synonyms | DIPENTAERYTHRITOL HEXAKIS(3-MERCAPTOPROPIONATE),
25359-71-1,
DiPETMP,
2-((3-(3-Mercapto-1-oxopropoxy)-2,2-bis((3-mercapto-1-oxopropoxy)methyl)propoxy)methyl)-2-((3-mercapto-1-oxopropoxy)methyl)propane-1,3-diyl bis(3-mercaptopropionate),
dipentaerythritol hexa(3-mercaptopropionate),
EINECS 246-893-2,
AC1L3KWN,
SCHEMBL99517,
AC1Q636D,
CTK8D7043,
MFCD00128217,
ZINC150339453,
D5212,
C-0704,
[3-(3-sulfanylpropanoyloxy)-2-[[3-(3-sulfanylpropanoyloxy)-2,2-bis(3-sulfanylpropanoyloxymethyl)propoxy]methyl]-2-(3-sulfanylpropanoyloxymethyl)propyl] 3-sulfanylpropanoate,
AR-1C5775,
CID117451,
2585-27-5,
|
| Complexity | 785 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 782.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 47 |
| Hydrogen Bond Acceptor Count | 19 |
| Hydrogen Bond Donor Count | 6 |
| Isotope Atom Count | 0 |
| Molecular Weight | 783.023g/mol |
| Monoisotopic Mass | 782.126g/mol |
| Rotatable Bond Count | 34 |
| Topological Polar Surface Area | 173A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
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Hazard Class
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Hazard statements
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H315-H319
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Packing Group
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Precautionary statements
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P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
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UN Code
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Certificate of Analysis
Lot Number