tert-butyl 1-bromo-3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54,57,60,63,66,69,72-tetracosaoxapentaheptacontan-75-oate

tert-butyl 1-bromo-3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54,57,60,63,66,69,72-tetracosaoxapentaheptacontan-75-oate

CAS: 1623792-00-6

Formula: C55H109BrO26

SMILES: CC(C)(C)OC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCBr

IUPAC: tert-butyl 1-bromo-3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54,57,60,63,66,69,72-tetracosaoxapentaheptacontan-75-oate

InChI: InChI=1S/C55H109BrO26/c1-55(2,3)82-54(57)4-6-58-8-10-60-12-14-62-16-18-64-20-22-66-24-26-68-28-30-70-32-34-72-36-38-74-40-42-76-44-46-78-48-50-80-52-53-81-51-49-79-47-45-77-43-41-75-39-37-73-35-33-71-31-29-69-27-25-67-23-21-65-19-17-63-15-13-61-11-9-59-7-

Composition: C (52.17%), H (8.68%), Br (6.31%), O (32.85%)

Molar Mass: 1266.355

Atom Count: 191

Heavy Atom Count: 82

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	1264.639047
Formal Charge	0
FSP3	0.98
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	25
Hydrogen Bond Donor Count	0
InChIKey	CRYWFMGACMLASE-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	308.7
Topological Polar Surface Area	247.82
Polarizability	122.59
Ring Count	0
Rotatable Bond Count	76

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