1-sulfanyl-3,6,9,12,15,18-hexaoxahenicosan-21-oic acid

1-sulfanyl-3,6,9,12,15,18-hexaoxahenicosan-21-oic acid

CAS: 1347750-77-9

Formula: C15H30O8S

SMILES: OC(=O)CCOCCOCCOCCOCCOCCOCCS

IUPAC: 1-sulfanyl-3,6,9,12,15,18-hexaoxahenicosan-21-oic acid

InChI: InChI=1S/C15H30O8S/c16-15(17)1-2-18-3-4-19-5-6-20-7-8-21-9-10-22-11-12-23-13-14-24/h24H,1-14H2,(H,16,17)

Composition: C (48.63%), H (8.16%), O (34.55%), S (8.65%)

Molar Mass: 370.46

Atom Count: 54

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	370.1661391
Formal Charge	0
FSP3	0.93
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	2
InChIKey	RSFZNXGXOCUHLT-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	91.49
Topological Polar Surface Area	92.68
Polarizability	36.24
Ring Count	0
Rotatable Bond Count	20

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