Toyocamycin 3',5'-cyclic phosphate

4-amino-7-[(6R,7R)-2,7-dihydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile

Also Known As: Toyocamycin 3',5'-cyclic phosphate|4-aminophenyl 3,3-dimethylbutan-2-yl methylphosphonate|4-amino-7-[(6r,7r)-2,7-dihydroxy-2-oxidotetrahydro-4h-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-7h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile|7H-Pyrrolo(2,3-d)pyrimidine-5-carbonitrile, 4-amino-7-(3,5-O-phosphinico-beta-D-ribofuranosyl)-|[4-amino-7-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile]-3',5'-cyclic phosphate|4-Amino-7-(2,7-dihydroxy-2-oxotetrahydro-2H,4H-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile|4-amino-7-[(6R,7R)-2,7-dihydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile|4-Amino-7-[(6R,7R)-2,7-dihydroxy-2-oxotetrahydro-2H,4H-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile

Molecular Formula	C12H12N5O6P
Molecular Weight	353.05252 g/mol
LogP	-2.3
Topological Polar Surface Area	166.0 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	10
Rotatable Bonds	1
Exact Mass	353.05252
Monoisotopic Mass	353.05252
Heavy Atoms	24
Complexity	614.0

Chemical Identifiers

CAS Number	5472-24-2
SMILES	C1C2C([C@H]([C@@H](O2)N3C=C(C4=C(N=CN=C43)N)C#N)O)OP(=O)(O1)O
InChIKey	WCXYPZXNWAXKGR-QZTCHEGXSA-N