2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71-tetracosaoxatriheptacontan-73-ol

2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71-tetracosaoxatriheptacontan-73-ol

CAS: 9004-74-4

Formula: C49H100O25

SMILES: COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO

IUPAC: 2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71-tetracosaoxatriheptacontan-73-ol

InChI: InChI=1S/C49H100O25/c1-51-4-5-53-8-9-55-12-13-57-16-17-59-20-21-61-24-25-63-28-29-65-32-33-67-36-37-69-40-41-71-44-45-73-48-49-74-47-46-72-43-42-70-39-38-68-35-34-66-31-30-64-27-26-62-23-22-60-19-18-58-15-14-56-11-10-54-7-6-52-3-2-50/h50H,2-49H2,1H3

Composition: C (54.03%), H (9.25%), O (36.72%)

Molar Mass: 1089.314

Atom Count: 174

Heavy Atom Count: 74

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	1088.65536872
Formal Charge	0
FSP3	1
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	25
Hydrogen Bond Donor Count	1
InChIKey	ZPFISRZFZGAZTF-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	273.31
Topological Polar Surface Area	241.75
Polarizability	108.64
Ring Count	0
Rotatable Bond Count	71

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