1-sulfanyl-3,6,9,12,15,18,21,24-octaoxaheptacosan-27-oic acid

1-sulfanyl-3,6,9,12,15,18,21,24-octaoxaheptacosan-27-oic acid

CAS: 866889-02-3

Formula: C19H38O10S

SMILES: OC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCS

IUPAC: 1-sulfanyl-3,6,9,12,15,18,21,24-octaoxaheptacosan-27-oic acid

InChI: InChI=1S/C19H38O10S/c20-19(21)1-2-22-3-4-23-5-6-24-7-8-25-9-10-26-11-12-27-13-14-28-15-16-29-17-18-30/h30H,1-18H2,(H,20,21)

Composition: C (49.77%), H (8.35%), O (34.89%), S (6.99%)

Molar Mass: 458.56

Atom Count: 68

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	458.218568598
Formal Charge	0
FSP3	0.95
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	10
Hydrogen Bond Donor Count	2
InChIKey	SKYJRDAORYSCAL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	113.58
Topological Polar Surface Area	111.14
Polarizability	45.03
Ring Count	0
Rotatable Bond Count	26

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