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26-[(4-methylbenzenesulfonyl)oxy]-3,6,9,12,15,18,21,24-octaoxahexacosan-1-ol

26-[(4-methylbenzenesulfonyl)oxy]-3,6,9,12,15,18,21,24-octaoxahexacosan-1-ol

CAS: 62573-11-9

Formula: C25H44O12S

SMILES: CC1=CC=C(C=C1)S(=O)(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCO

IUPAC: 26-[(4-methylbenzenesulfonyl)oxy]-3,6,9,12,15,18,21,24-octaoxahexacosan-1-ol

InChI: InChI=1S/C25H44O12S/c1-24-2-4-25(5-3-24)38(27,28)37-23-22-36-21-20-35-19-18-34-17-16-33-15-14-32-13-12-31-11-10-30-9-8-29-7-6-26/h2-5,26H,6-23H2,1H3

Composition: C (52.80%), H (7.80%), O (33.76%), S (5.64%)

Molar Mass: 568.68

Atom Count: 82

Heavy Atom Count: 38

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 568.255348031
Formal Charge 0
FSP3 0.76
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 11
Hydrogen Bond Donor Count 1
InChIKey IJODQQRFMNRBNF-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 140.84
Topological Polar Surface Area 137.44
Polarizability 56.42
Ring Count 1
Rotatable Bond Count 28

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