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1-[({2-[2-({[(1R,8S,9S)-bicyclo[6.1.0]non-4-yn-9-ylmethoxy]carbonyl}amino)ethoxy]ethoxy}carbonyl)oxy]pyrrolidine-2,5-dione

1-[({2-[2-({[(1R,8S,9S)-bicyclo[6.1.0]non-4-yn-9-ylmethoxy]carbonyl}amino)ethoxy]ethoxy}carbonyl)oxy]pyrrolidine-2,5-dione

CAS: 1608140-47-1

Formula: C20H26N2O8

SMILES: [H][C@@]12CCC#CCC[C@]1([H])[C@@H]2COC(=O)NCCOCCOC(=O)ON1C(=O)CCC1=O

IUPAC: 1-{[(2-{2-[({[(1R,8S,9S)-bicyclo[6.1.0]non-4-yn-9-yl]methoxy}carbonyl)amino]ethoxy}ethoxy)carbonyl]oxy}pyrrolidine-2,5-dione

InChI: InChI=1S/C20H26N2O8/c23-17-7-8-18(24)22(17)30-20(26)28-12-11-27-10-9-21-19(25)29-13-16-14-5-3-1-2-4-6-15(14)16/h14-16H,3-13H2,(H,21,25)/t14-,15+,16-

Composition: C (56.87%), H (6.20%), N (6.63%), O (30.30%)

Molar Mass: 422.434

Atom Count: 56

Heavy Atom Count: 30

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 3
Exact Mass 422.168915805
Formal Charge 0
FSP3 0.7
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 1
InChIKey PREFPNRTWCTNHH-MUJYYYPQSA-N
Lipinski's Rule of Five 1
Molar Refractivity 101.88
Topological Polar Surface Area 120.47
Polarizability 39.85
Ring Count 3
Rotatable Bond Count 12

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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 1608140-47-1 $548.10-$1,587.60$548.10$926.10$1,587.60
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