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bis((2S)-1-{5-[(2S)-2-carboxypyrrolidin-1-yl]pentyl}pyrrolidine-2-carboxylic acid)

bis((2S)-1-{5-[(2S)-2-carboxypyrrolidin-1-yl]pentyl}pyrrolidine-2-carboxylic acid)

CAS: 1820575-05-0

Formula: C30H52N4O8

SMILES: OC(=O)[C@@H]1CCCN1CCCCCN1CCC[C@H]1C(O)=O.OC(=O)[C@@H]1CCCN1CCCCCN1CCC[C@H]1C(O)=O

IUPAC: bis((2S)-1-{5-[(2S)-2-carboxypyrrolidin-1-yl]pentyl}pyrrolidine-2-carboxylic acid)

InChI: InChI=1S/2C15H26N2O4/c2*18-14(19)12-6-4-10-16(12)8-2-1-3-9-17-11-5-7-13(17)15(20)21/h2*12-13H,1-11H2,(H,18,19)(H,20,21)/t2*12-,13+

Composition: C (60.38%), H (8.78%), N (9.39%), O (21.45%)

Molar Mass: 596.766

Atom Count: 94

Heavy Atom Count: 42

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 4
Exact Mass 596.37851465
Formal Charge 0
FSP3 0.87
Hetero Ring Count 4
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 2
InChIKey ZNRRFAKBVSHILY-PNWPTSOWSA-N
Lipinski's Rule of Five
Molar Refractivity 78.86
Topological Polar Surface Area 81.08
Polarizability 31.02
Ring Count 4
Rotatable Bond Count 16

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97% <7 Days 1820575-05-0 $249.44-$513.36$249.44$513.36
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Purity LeadTime CAS PacketSize UnitPrice
97% <6 Days 1820575-05-0 $182.85-$394.45$182.85$394.45
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