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2,5-dioxopyrrolidin-1-yl 1-({[(4E)-cyclooct-4-en-1-yloxy]carbonyl}amino)-3,6,9,12-tetraoxapentadecan-15-oate

2,5-dioxopyrrolidin-1-yl 1-({[(4E)-cyclooct-4-en-1-yloxy]carbonyl}amino)-3,6,9,12-tetraoxapentadecan-15-oate

CAS: 1613439-69-2

Formula: C24H38N2O10

SMILES: O=C(CCOCCOCCOCCOCCNC(=O)OC1CCCC=CCC1)ON1C(=O)CCC1=O

IUPAC: 2,5-dioxopyrrolidin-1-yl 1-({[(4E)-cyclooct-4-en-1-yloxy]carbonyl}amino)-3,6,9,12-tetraoxapentadecan-15-oate

InChI: InChI=1/C24H38N2O10/c27-21-8-9-22(28)26(21)36-23(29)10-12-31-14-16-33-18-19-34-17-15-32-13-11-25-24(30)35-20-6-4-2-1-3-5-7-20/h1-2,20H,3-19H2,(H,25,30)/b2-1+

Composition: C (56.02%), H (7.44%), N (5.44%), O (31.09%)

Molar Mass: 514.572

Atom Count: 74

Heavy Atom Count: 36

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 1
Exact Mass 514.252645432
Formal Charge 0
FSP3 0.75
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 8
Hydrogen Bond Donor Count 1
InChIKey ZKPMRASGLDBKPF-OWOJBTEDNA-N
Lipinski's Rule of Five
Molar Refractivity 127.83
Topological Polar Surface Area 138.93
Polarizability 50.17
Ring Count 2
Rotatable Bond Count 19

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