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2,5,8,11,14,17,20,23,26,29,32,35-dodecaoxaheptatriacontan-37-yl methanesulfonate

2,5,8,11,14,17,20,23,26,29,32,35-dodecaoxaheptatriacontan-37-yl methanesulfonate

CAS: 1059604-93-1

Formula: C26H54O15S

SMILES: COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOS(C)(=O)=O

IUPAC: 2,5,8,11,14,17,20,23,26,29,32,35-dodecaoxaheptatriacontan-37-yl methanesulfonate

InChI: InChI=1S/C26H54O15S/c1-29-3-4-30-5-6-31-7-8-32-9-10-33-11-12-34-13-14-35-15-16-36-17-18-37-19-20-38-21-22-39-23-24-40-25-26-41-42(2,27)28/h3-26H2,1-2H3

Composition: C (48.89%), H (8.52%), O (37.57%), S (5.02%)

Molar Mass: 638.76

Atom Count: 96

Heavy Atom Count: 42

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 638.318342213
Formal Charge 0
FSP3 1
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 14
Hydrogen Bond Donor Count 0
InChIKey JKPOVWOBYWMPRZ-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 153.54
Topological Polar Surface Area 154.13
Polarizability 62.12
Ring Count 0
Rotatable Bond Count 37

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