2,5-dioxopyrrolidin-1-yl 1-[2-({4-[(2,5-dioxopyrrolidin-1-yl)oxy]-4-oxobutanoyl}oxy)ethyl] butanedioate

2,5-dioxopyrrolidin-1-yl 1-[2-({4-[(2,5-dioxopyrrolidin-1-yl)oxy]-4-oxobutanoyl}oxy)ethyl] butanedioate

CAS: 70539-42-3

Formula: C18H20N2O12

SMILES: O=C(CCC(=O)ON1C(=O)CCC1=O)OCCOC(=O)CCC(=O)ON1C(=O)CCC1=O

IUPAC: 2,5-dioxopyrrolidin-1-yl 1-[2-({4-[(2,5-dioxopyrrolidin-1-yl)oxy]-4-oxobutanoyl}oxy)ethyl] butanedioate

InChI: InChI=1S/C18H20N2O12/c21-11-1-2-12(22)19(11)31-17(27)7-5-15(25)29-9-10-30-16(26)6-8-18(28)32-20-13(23)3-4-14(20)24/h1-10H2

Composition: C (47.37%), H (4.42%), N (6.14%), O (42.07%)

Molar Mass: 456.36

Atom Count: 52

Heavy Atom Count: 32

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	456.101624092
Formal Charge	0
FSP3	0.56
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	0
InChIKey	QLHLYJHNOCILIT-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	95.75
Topological Polar Surface Area	179.96
Polarizability	38.68
Ring Count	2
Rotatable Bond Count	15

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