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(2S,4R)-4-[(4-chlorophenyl)methoxy]-1-[(9H-fluoren-9-ylmethoxy)carbonyl]pyrrolidine-2-carboxylic acid

(2S,4R)-4-[(4-chlorophenyl)methoxy]-1-[(9H-fluoren-9-ylmethoxy)carbonyl]pyrrolidine-2-carboxylic acid

CAS: 863221-25-4

Formula: C27H24ClNO5

SMILES: OC(=O)[C@@H]1C[C@H](CN1C(=O)OCC1C2=CC=CC=C2C2=CC=CC=C12)OCC1=CC=C(Cl)C=C1

IUPAC: (2S,4R)-4-[(4-chlorophenyl)methoxy]-1-{[(9H-fluoren-9-yl)methoxy]carbonyl}pyrrolidine-2-carboxylic acid

InChI: InChI=1S/C27H24ClNO5/c28-18-11-9-17(10-12-18)15-33-19-13-25(26(30)31)29(14-19)27(32)34-16-24-22-7-3-1-5-20(22)21-6-2-4-8-23(21)24/h1-12,19,24-25H,13-16H2,(H,30,31)/t19-,25+/m1/s1

Composition: C (67.85%), H (5.06%), Cl (7.42%), N (2.93%), O (16.74%)

Molar Mass: 477.94

Atom Count: 58

Heavy Atom Count: 34

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 2
Exact Mass 477.1343006
Formal Charge 0
FSP3 0.26
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey MFCXOTVODXNETA-CLOONOSVSA-N
Lipinski's Rule of Five
Molar Refractivity 127.75
Topological Polar Surface Area 76.07
Polarizability 50.94
Ring Count 5
Rotatable Bond Count 7

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Purity LeadTime CAS PacketSize UnitPrice
97% <7 Days 863221-25-4 $233.28-$517.44$233.28$344.64$517.44
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