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2,5-dioxopyrrolidin-1-yl 1-(13-azido-2,2-dimethyl-4-oxo-3,8,11-trioxa-5-azatridecan-5-yl)-3,6,9,12-tetraoxapentadecan-15-oate

2,5-dioxopyrrolidin-1-yl 1-(13-azido-2,2-dimethyl-4-oxo-3,8,11-trioxa-5-azatridecan-5-yl)-3,6,9,12-tetraoxapentadecan-15-oate

CAS: 2093153-95-6

Formula: C26H45N5O12

SMILES: CC(C)(C)OC(=O)N(CCOCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O)CCOCCOCCN=[N+]=[N-]

IUPAC: 2,5-dioxopyrrolidin-1-yl 1-(13-azido-2,2-dimethyl-4-oxo-3,8,11-trioxa-5-azatridecan-5-yl)-3,6,9,12-tetraoxapentadecan-15-oate

InChI: InChI=1S/C26H45N5O12/c1-26(2,3)42-25(35)30(8-12-38-16-15-37-11-7-28-29-27)9-13-39-17-19-41-21-20-40-18-14-36-10-6-24(34)43-31-22(32)4-5-23(31)33/h4-21H2,1-3H3

Composition: C (50.40%), H (7.32%), N (11.30%), O (30.98%)

Molar Mass: 619.669

Atom Count: 88

Heavy Atom Count: 43

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 619.306471909
Formal Charge 0
FSP3 0.85
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 12
Hydrogen Bond Donor Count 0
InChIKey JLYRAESBBJMWBK-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 149.87
Topological Polar Surface Area 178.03
Polarizability 58.64
Ring Count 1
Rotatable Bond Count 28

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Purity (%)
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Days
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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 2093153-95-6 $302.40-$926.10$302.40$614.25$926.10
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