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tert-butyl N-(47-hydroxy-3,6,9,12,15,18,21,24,27,30,33,36,39,42,45-pentadecaoxaheptatetracontan-1-yl)carbamate

tert-butyl N-(47-hydroxy-3,6,9,12,15,18,21,24,27,30,33,36,39,42,45-pentadecaoxaheptatetracontan-1-yl)carbamate

CAS: 2592432-32-9159156-95-3

Formula: C37H75NO18

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

IUPAC: tert-butyl N-(47-hydroxy-3,6,9,12,15,18,21,24,27,30,33,36,39,42,45-pentadecaoxaheptatetracontan-1-yl)carbamate

InChI: InChI=1S/C37H75NO18/c1-37(2,3)56-36(40)38-4-6-41-8-10-43-12-14-45-16-18-47-20-22-49-24-26-51-28-30-53-32-34-55-35-33-54-31-29-52-27-25-50-23-21-48-19-17-46-15-13-44-11-9-42-7-5-39/h39H,4-35H2,1-3H3,(H,38,40)

Composition: C (54.06%), H (9.20%), N (1.70%), O (35.03%)

Molar Mass: 821.996

Atom Count: 131

Heavy Atom Count: 56

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 821.498414579
Formal Charge 0
FSP3 0.97
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 17
Hydrogen Bond Donor Count 2
InChIKey YBHXIPILPKQXMZ-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 206.74
Topological Polar Surface Area 197.01
Polarizability 82.09
Ring Count 0
Rotatable Bond Count 49

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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 2592432-32-9159156-95-3 $278.30-$696.26$278.30$696.26
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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 2592432-32-9159156-95-3 $132.30-$737.10$132.30$264.60$463.05$737.10
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