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bis(2,5-dioxopyrrolidin-1-yl) 4,7,10,13,16,19,22,25,28,31,34,37,40-tridecaoxatritetracontanedioate

bis(2,5-dioxopyrrolidin-1-yl) 4,7,10,13,16,19,22,25,28,31,34,37,40-tridecaoxatritetracontanedioate

CAS: 2221949-00-21008402-79-6

Formula: C38H64N2O21

SMILES: O=C(CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O)ON1C(=O)CCC1=O

IUPAC: bis(2,5-dioxopyrrolidin-1-yl) 4,7,10,13,16,19,22,25,28,31,34,37,40-tridecaoxatritetracontanedioate

InChI: InChI=1S/C38H64N2O21/c41-33-1-2-34(42)39(33)60-37(45)5-7-47-9-11-49-13-15-51-17-19-53-21-23-55-25-27-57-29-31-59-32-30-58-28-26-56-24-22-54-20-18-52-16-14-50-12-10-48-8-6-38(46)61-40-35(43)3-4-36(40)44/h1-32H2

Composition: C (51.58%), H (7.29%), N (3.17%), O (37.97%)

Molar Mass: 884.923

Atom Count: 125

Heavy Atom Count: 61

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 884.400157089
Formal Charge 0
FSP3 0.84
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 19
Hydrogen Bond Donor Count 0
InChIKey OVDFFVRBNAHLOH-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 208.21
Topological Polar Surface Area 247.35
Polarizability 82.97
Ring Count 2
Rotatable Bond Count 46

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97% <7 Days 2221949-00-21008402-79-6 $392.70-$804.10$392.70$596.53$804.10
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95% <2 Days 2221949-00-21008402-79-6 $226.80-$831.60$226.80$444.15$831.60
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