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

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

CAS: 1347750-85-9

Formula: C15H30O9

SMILES: OCCOCCOCCOCCOCCOCCOCCC(O)=O

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

InChI: InChI=1S/C15H30O9/c16-2-4-20-6-8-22-10-12-24-14-13-23-11-9-21-7-5-19-3-1-15(17)18/h16H,1-14H2,(H,17,18)

Composition: C (50.84%), H (8.53%), O (40.63%)

Molar Mass: 354.396

Atom Count: 54

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	354.188982546
Formal Charge	0
FSP3	0.93
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	9
Hydrogen Bond Donor Count	2
InChIKey	LGLHJMFNIHYJBM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	85.31
Topological Polar Surface Area	112.91
Polarizability	33.87
Ring Count	0
Rotatable Bond Count	20

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