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2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-4-(2-methoxyethoxy)butanoic acid

2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-4-(2-methoxyethoxy)butanoic acid

Formula: C22H25NO6

SMILES: COCCOCCC(NC(=O)OCC1C2=CC=CC=C2C2=CC=CC=C12)C(O)=O

IUPAC: 2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-4-(2-methoxyethoxy)butanoic acid

InChI: InChI=1/C22H25NO6/c1-27-12-13-28-11-10-20(21(24)25)23-22(26)29-14-19-17-8-4-2-6-15(17)16-7-3-5-9-18(16)19/h2-9,19-20H,10-14H2,1H3,(H,23,26)(H,24,25)

Composition: C (66.15%), H (6.31%), N (3.51%), O (24.03%)

Molar Mass: 399.443

Atom Count: 54

Heavy Atom Count: 29

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 399.168187529
Formal Charge 0
FSP3 0.36
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey CLTBHEOPVBWVFN-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 106.78
Topological Polar Surface Area 94.09
Polarizability 42.75
Ring Count 3
Rotatable Bond Count 11

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Purity LeadTime Formula UnitPrice
98% <10 Days C22H25NO6 Quote Only