Catalog Number |
ACM2197639-1 |
CAS |
2197-63-9 |
Structure |
|
Synonyms |
Bis(hexadecyl) phosphate |
IUPAC Name |
Dihexadecyl hydrogen phosphate |
Molecular Weight |
546.85 |
Molecular Formula |
C32H67O4P |
Canonical SMILES |
CCCCCCCCCCCCCCCCOP(=O)(O)OCCCCCCCCCCCCCCCC |
InChI |
RNPXCFINMKSQPQ-UHFFFAOYSA-N |
InChI Key |
InChI=1S/C32H67O4P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35-37(33,34)36-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-32H2,1-2H3,(H,33,34) |
Melting Point |
74-75 °C(lit.) |
Purity |
97%+ |
Complexity |
434 |
Covalently-Bonded Unit Count |
1 |
Defined Atom Stereocenter Count |
0 |
Exact Mass |
546.47769761 |
Heavy Atom Count |
37 |
Hydrogen Bond Acceptor Count |
4 |
Hydrogen Bond Donor Count |
1 |
Monoisotopic Mass |
546.47769761 |
Physical State |
Solid |
Rotatable Bond Count |
32 |
Topological Polar Surface Area |
55.8 Ų |
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