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18271-58-4 | Butanedioic acid, 2-sulfo-, 1,4-ditridecyl ester
CAS No: 18271-58-4 Catalog No: AG002436 MDL No:
Product Description
Catalog Number:
AG002436
Chemical Name:
Butanedioic acid, 2-sulfo-, 1,4-ditridecyl ester
CAS Number:
18271-58-4
Molecular Formula:
C30H58O7S
Molecular Weight:
562.8423
IUPAC Name:
1,4-dioxo-1,4-di(tridecoxy)butane-2-sulfonic acid
InChI:
InChI=1S/C30H58O7S/c1-3-5-7-9-11-13-15-17-19-21-23-25-36-29(31)27-28(38(33,34)35)30(32)37-26-24-22-20-18-16-14-12-10-8-6-4-2/h28H,3-27H2,1-2H3,(H,33,34,35)
InChI Key:
ICAXUQIEOXHXKK-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCOC(=O)CC(S(=O)(=O)O)C(=O)OCCCCCCCCCCCCC
Properties
Complexity:
658
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
562.39g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
562.847g/mol
Monoisotopic Mass:
562.39g/mol
Rotatable Bond Count:
30
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
11.1
Literature
| Title | Journal |
|---|---|
| Transcutaneous immunization studies in mice using diphtheria toxoid-loaded vesicle formulations and a microneedle array. | Pharmaceutical research 20110101 |
| Preparation and characterization of diphtheria toxoid-loaded elastic vesicles for transcutaneous immunization. | Journal of drug targeting 20080801 |
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