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bis[2,5-dioxo-3-(sodiooxysulfonyl)pyrrolidin-1-yl] octanedioate

bis[2,5-dioxo-3-(sodiooxysulfonyl)pyrrolidin-1-yl] octanedioate

CAS: 82436-77-9

Formula: C16H18N2Na2O14S2

SMILES: [Na]OS(=O)(=O)C1CC(=O)N(OC(=O)CCCCCCC(=O)ON2C(=O)CC(C2=O)S(=O)(=O)O[Na])C1=O

IUPAC: bis{2,5-dioxo-3-[(sodiooxy)sulfonyl]pyrrolidin-1-yl} octanedioate

InChI: InChI=1/C16H20N2O14S2.2Na/c19-11-7-9(33(25,26)27)15(23)17(11)31-13(21)5-3-1-2-4-6-14(22)32-18-12(20)8-10(16(18)24)34(28,29)30;;/h9-10H,1-8H2,(H,25,26,27)(H,28,29,30);;/q;2*+1/p-2

Composition: C (33.57%), H (3.17%), N (4.89%), Na (8.03%), O (39.13%), S (11.20%)

Molar Mass: 572.42

Atom Count: 54

Heavy Atom Count: 36

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 2
Exact Mass 571.99948418
Formal Charge 0
FSP3 0.62
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 10
Hydrogen Bond Donor Count 0
InChIKey MGJYOHMBGJPESL-UHFFFAOYNA-L
Lipinski's Rule of Five
Molar Refractivity 100.58
Topological Polar Surface Area 214.1
Polarizability 46.77
Ring Count 2
Rotatable Bond Count 15

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Purity (%)
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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 82436-77-9 $327.92-$737.10$327.92$500.85$737.10
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