AC1MHLUW

1,3-dimethyl-7-[2-[(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)amino]ethyl]purine-2,6-dione

Also Known As: 1,3-dimethyl-7-[2-[(2-oxo-1,3,2|Phosphoramidic acid, N-(2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl)-, O,O'-cyclic trimethylene ester|Theophyllinyl-7' ethylamino-2 oxo-2 dioxaphosphorinnane-1,3,2|Theophyllinyl-7' ethylamino-2 oxo-2 dioxaphosphorinnane-1,3,2 [French]|1,3-Dimethyl-7-{2-[(2-oxo-1,3,2lambda~5~-dioxaphosphinan-2-yl)amino]ethyl}-3,7-dihydro-1H-purine-2,6-dione|1-[[2-(1,2,3,6-Tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)ethyl]amino]-2,6-dioxaphosphorinane 1-oxide|2-{[2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)ethyl]amino}-1,3,2-dioxaphosphinan-2-ium-2-olate

Molecular Formula	C12H18N5O5P
Molecular Weight	343.10455 g/mol
LogP	-0.4317
Topological Polar Surface Area	109.38 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	6
Rotatable Bonds	4
Exact Mass	343.10455
Monoisotopic Mass	343.10455
Heavy Atoms	23
Complexity	887.60406

Chemical Identifiers

CAS Number	70299-69-3
SMILES	CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCNP3(=O)OCCCO3