2,5-dioxopyrrolidin-1-yl 4-{[(4-{[(2-amino-7H-purin-6-yl)oxy]methyl}phenyl)methyl]carbamoyl}butanoate

2,5-dioxopyrrolidin-1-yl 4-{[(4-{[(2-amino-7H-purin-6-yl)oxy]methyl}phenyl)methyl]carbamoyl}butanoate

Formula: C22H23N7O6

SMILES: NC1=NC(OCC2=CC=C(CNC(=O)CCCC(=O)ON3C(=O)CCC3=O)C=C2)=C2NC=NC2=N1

IUPAC: 2,5-dioxopyrrolidin-1-yl 4-{[(4-{[(2-amino-7H-purin-6-yl)oxy]methyl}phenyl)methyl]carbamoyl}butanoate

InChI: InChI=1S/C22H23N7O6/c23-22-27-20-19(25-12-26-20)21(28-22)34-11-14-6-4-13(5-7-14)10-24-15(30)2-1-3-18(33)35-29-16(31)8-9-17(29)32/h4-7,12H,1-3,8-11H2,(H,24,30)(H3,23,25,26,27,28)

Composition: C (54.88%), H (4.82%), N (20.36%), O (19.94%)

Molar Mass: 481.469

Atom Count: 58

Heavy Atom Count: 35

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	481.170981489
Formal Charge	0
FSP3	0.32
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	9
Hydrogen Bond Donor Count	3
InChIKey	NABGZMFQLSWFAE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	123.21
Topological Polar Surface Area	182.49
Polarizability	46.55
Ring Count	4
Rotatable Bond Count	11

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C22H23N7O6		Quote Only