N(6),O(2)-Dipivaloyl cyclic amp

[(4aR,6R,7R,7aR)-6-[6-(2,2-dimethylpropanoylamino)purin-9-yl]-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-yl] 2,2-dimethylpropanoate

Also Known As: N(6),O(2)-Dipivaloyl cyclic amp|(4ar,6r,7r,7ar)-6-{6-[(2,2-dimethylpropanoyl)amino]-9h-purin-9-yl}-2-hydroxy-2-oxidotetrahydro-4h-furo[3,2-d][1,3,2]dioxaphosphinin-7-yl 2,2-dimethylpropanoate|Adenosine, N-(2,2-dimethyl-1-oxopropyl)-, cyclic 3',5'-(hydrogen phosphate) 2'-(2,2-dimethylpropanoate)|[(4aR,6R,7R,7aR)-6-[6-(2,2-dimethylpropanoylamino)purin-9-yl]-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-yl] 2,2-dimethylpropanoate|N-(9-{(4aR,6R,7R,7aR)-7-[(2,2-Dimethylpropanoyl)oxy]-2-hydroxy-2-oxotetrahydro-2H,4H-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl}-9H-purin-6-yl)-2,2-dimethylpropanimidic acid|N-(9-{7-[(2,2-Dimethylpropanoyl)oxy]-2-hydroxy-2-oxotetrahydro-2H,4H-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl}-9H-purin-6-yl)-2,2-dimethylpropanimidic acid

Molecular Formula	C20H28N5O8P
Molecular Weight	497.16754 g/mol
LogP	0.7
Topological Polar Surface Area	164.0 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	11
Rotatable Bonds	6
Exact Mass	497.16754
Monoisotopic Mass	497.16754
Heavy Atoms	34
Complexity	861.0

Chemical Identifiers

CAS Number	78232-35-6
SMILES	CC(C)(C)C(=O)NC1=C2C(=NC=N1)N(C=N2)[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O4)O)OC(=O)C(C)(C)C
InChIKey	OFPPCWXYSKTHBG-XNIJJKJLSA-N