1-hydroxy-3,6,9,12,15,18,21,24,27,30,33-undecaoxa-36-thiaoctatriacontan-37-one

1-hydroxy-3,6,9,12,15,18,21,24,27,30,33-undecaoxa-36-thiaoctatriacontan-37-one

CAS: 1334177-81-9

Formula: C26H52O13S

SMILES: CC(=O)SCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO

IUPAC: 1-hydroxy-3,6,9,12,15,18,21,24,27,30,33-undecaoxa-36-thiaoctatriacontan-37-one

InChI: InChI=1S/C26H52O13S/c1-26(28)40-25-24-39-23-22-38-21-20-37-19-18-36-17-16-35-15-14-34-13-12-33-11-10-32-9-8-31-7-6-30-5-4-29-3-2-27/h27H,2-25H2,1H3

Composition: C (51.64%), H (8.67%), O (34.39%), S (5.30%)

Molar Mass: 604.75

Atom Count: 92

Heavy Atom Count: 40

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	604.312862908
Formal Charge	0
FSP3	0.96
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	13
Hydrogen Bond Donor Count	1
InChIKey	JGAUZMRPHWWELV-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	151.68
Topological Polar Surface Area	138.83
Polarizability	60.25
Ring Count	0
Rotatable Bond Count	36

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