Name: Name:3-(3,7-dibutyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)propanoic acid
Brand: Angene
SKU: AG019LH4
Rating: 90 (10 reviews)

3-(3,7-dibutyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)propanoic acid

CAS No.:

1000932-99-9

Catalog Number:

AG019LH4

Molecular Formula:

C16H24N4O4

Molecular Weight:

336.3862

Catalog Number:

AG019LH4

Chemical Name:

3-(3,7-dibutyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)propanoic acid

CAS Number:

1000932-99-9

Molecular Formula:

C16H24N4O4

Molecular Weight:

336.3862

MDL Number:

MFCD09971433

IUPAC Name:

3-(3,7-dibutyl-2,6-dioxopurin-8-yl)propanoic acid

InChI:

InChI=1S/C16H24N4O4/c1-3-5-9-19-11(7-8-12(21)22)17-14-13(19)15(23)18-16(24)20(14)10-6-4-2/h3-10H2,1-2H3,(H,21,22)(H,18,23,24)

InChI Key:

NGYGSIFVWFYKAC-UHFFFAOYSA-N

SMILES:

CCCCn1c(=O)[nH]c(=O)c2c1nc(n2CCCC)CCC(=O)O

Complexity:

485

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

336.18g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

336.392g/mol

Monoisotopic Mass:

336.18g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

105A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.6