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tert-butyl 1-[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenoxy]-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-[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenoxy]-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: 2183440-38-0

Formula: C64H116N4O27

SMILES: CC1=NN=C(N=N1)C1=CC=C(OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)OC(C)(C)C)C=C1

IUPAC: tert-butyl 1-[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenoxy]-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/C64H116N4O27/c1-59-65-67-63(68-66-59)60-5-7-61(8-6-60)94-58-57-93-56-55-92-54-53-91-52-51-90-50-49-89-48-47-88-46-45-87-44-43-86-42-41-85-40-39-84-38-37-83-36-35-82-34-33-81-32-31-80-30-29-79-28-27-78-26-25-77-24-23-76-22-21-75-20-19-74-18-17-73-

Composition: C (55.96%), H (8.51%), N (4.08%), O (31.45%)

Molar Mass: 1373.633

Atom Count: 211

Heavy Atom Count: 95

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 1372.782694491
Formal Charge 0
FSP3 0.86
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 30
Hydrogen Bond Donor Count 0
InChIKey XZVVQWAMFYOQGO-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 364.33
Topological Polar Surface Area 308.61
Polarizability 138.57
Ring Count 2
Rotatable Bond Count 79

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Purity (%)
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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 2183440-38-0 $425.25-$1,275.75$425.25$637.88$1,275.75
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