1-sulfo-3,6,9,12,15-pentaoxaoctadecan-18-oic acid

1-sulfo-3,6,9,12,15-pentaoxaoctadecan-18-oic acid

CAS: 1817735-38-8

Formula: C13H26O10S

SMILES: OC(=O)CCOCCOCCOCCOCCOCCS(O)(=O)=O

IUPAC: 1-sulfo-3,6,9,12,15-pentaoxaoctadecan-18-oic acid

InChI: InChI=1S/C13H26O10S/c14-13(15)1-2-19-3-4-20-5-6-21-7-8-22-9-10-23-11-12-24(16,17)18/h1-12H2,(H,14,15)(H,16,17,18)

Composition: C (41.70%), H (7.00%), O (42.73%), S (8.56%)

Molar Mass: 374.4

Atom Count: 50

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	374.124668211
Formal Charge	0
FSP3	0.92
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	10
Hydrogen Bond Donor Count	2
InChIKey	BNXDKCHNWPCUMT-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	82.66
Topological Polar Surface Area	137.82
Polarizability	33.65
Ring Count	0
Rotatable Bond Count	18

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