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1-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-1,4,7,10,13,16,19,22,25,28,31,34,37-tridecaoxatetracontan-40-oic acid

1-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-1,4,7,10,13,16,19,22,25,28,31,34,37-tridecaoxatetracontan-40-oic acid

CAS: 2055104-72-6

Formula: C42H65NO17

SMILES: OC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCONC(=O)OCC1C2=CC=CC=C2C2=C1C=CC=C2

IUPAC: 1-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-1,4,7,10,13,16,19,22,25,28,31,34,37-tridecaoxatetracontan-40-oic acid

InChI: InChI=1S/C42H65NO17/c44-41(45)9-10-47-11-12-48-13-14-49-15-16-50-17-18-51-19-20-52-21-22-53-23-24-54-25-26-55-27-28-56-29-30-57-31-32-58-33-34-60-43-42(46)59-35-40-38-7-3-1-5-36(38)37-6-2-4-8-39(37)40/h1-8,40H,9-35H2,(H,43,46)(H,44,45)

Composition: C (58.93%), H (7.65%), N (1.64%), O (31.77%)

Molar Mass: 855.972

Atom Count: 125

Heavy Atom Count: 60

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 855.425249637
Formal Charge 0
FSP3 0.67
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 16
Hydrogen Bond Donor Count 2
InChIKey MENGGIMQWBAOJW-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 218.65
Topological Polar Surface Area 195.62
Polarizability 87.36
Ring Count 3
Rotatable Bond Count 43

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Purity (%)
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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 2055104-72-6 $274.05-$1,162.35$274.05$774.90$1,162.35
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