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2,5-dioxopyrrolidin-1-yl 1-({[(4E)-cyclooct-4-en-1-yloxy]carbonyl}amino)-3,6,9,12,15,18-hexaoxahenicosan-21-oate

2,5-dioxopyrrolidin-1-yl 1-({[(4E)-cyclooct-4-en-1-yloxy]carbonyl}amino)-3,6,9,12,15,18-hexaoxahenicosan-21-oate

CAS: 2353409-96-6

Formula: C28H46N2O12

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

IUPAC: 2,5-dioxopyrrolidin-1-yl 1-({[(4E)-cyclooct-4-en-1-yloxy]carbonyl}amino)-3,6,9,12,15,18-hexaoxahenicosan-21-oate

InChI: InChI=1/C28H46N2O12/c31-25-8-9-26(32)30(25)42-27(33)10-12-35-14-16-37-18-20-39-22-23-40-21-19-38-17-15-36-13-11-29-28(34)41-24-6-4-2-1-3-5-7-24/h1-2,24H,3-23H2,(H,29,34)/b2-1+

Composition: C (55.80%), H (7.69%), N (4.65%), O (31.86%)

Molar Mass: 602.678

Atom Count: 88

Heavy Atom Count: 42

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 1
Exact Mass 602.305074929
Formal Charge 0
FSP3 0.79
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 10
Hydrogen Bond Donor Count 1
InChIKey ADJYXGBSZXWRNW-OWOJBTEDNA-N
Lipinski's Rule of Five
Molar Refractivity 149.92
Topological Polar Surface Area 157.39
Polarizability 58.96
Ring Count 2
Rotatable Bond Count 25

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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 2353409-96-6 $207.90-$633.15$207.90$354.38$633.15
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