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3-{2-[2-(2-{2-[2-(2-methoxyethoxy)ethoxy]ethanesulfonyl}ethoxy)ethoxy]ethoxy}propanoic acid

3-{2-[2-(2-{2-[2-(2-methoxyethoxy)ethoxy]ethanesulfonyl}ethoxy)ethoxy]ethoxy}propanoic acid

CAS: 1919045-04-7

Formula: C16H32O10S

SMILES: COCCOCCOCCS(=O)(=O)CCOCCOCCOCCC(O)=O

IUPAC: 3-{2-[2-(2-{2-[2-(2-methoxyethoxy)ethoxy]ethanesulfonyl}ethoxy)ethoxy]ethoxy}propanoic acid

InChI: InChI=1S/C16H32O10S/c1-21-4-5-23-8-10-25-12-14-27(19,20)15-13-26-11-9-24-7-6-22-3-2-16(17)18/h2-15H2,1H3,(H,17,18)

Composition: C (46.14%), H (7.74%), O (38.41%), S (7.70%)

Molar Mass: 416.48

Atom Count: 59

Heavy Atom Count: 27

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 416.171618404
Formal Charge 0
FSP3 0.94
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 10
Hydrogen Bond Donor Count 1
InChIKey CLINTTTZSLFCQX-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 96.58
Topological Polar Surface Area 126.82
Polarizability 39.32
Ring Count 0
Rotatable Bond Count 21

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Purity (%)
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Ships Within
Days
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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 1919045-04-7 $274.05-$1,115.10$274.05$453.60$708.75$1,115.10
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