Triciribine phosphate monohydrate
[(2R,3S,4R,5R)-5-(5-amino-7-methyl-2,6,7,9,11-pentazatricyclo[6.3.1.04,12]dodeca-1(12),3,5,8,10-pentaen-2-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate;hydrate
Molecular Identity
Triciribine phosphate monohydrate
[(2R,3S,4R,5R)-5-(5-amino-7-methyl-2,6,7,9,11-pentazatricyclo[6.3.1.04,12]dodeca-1(12),3,5,8,10-pentaen-2-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate;hydrate
PubChem CID: 24840908
2D Structure
Properties
C13H19N6O8P
Molecular Formula
418.30
Molecular Weight
g/mol
418.1002
Exact Mass
Da
190
TPSA
May have limited oral absorption
6
H-Bond Donors
12
H-Bond Acceptors
663
Complexity
SMILES
Canonical SMILES
SMILES: CN1C2=NC=NC3=C2C(=CN3C4C(C(C(O4)COP(=O)(O)O)O)O)C(=N1)N.OIsomeric SMILES
SMILES: CN1C2=NC=NC3=C2C(=CN3[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O)C(=N1)N.OSynonyms(11)
triciribine phosphate monohydrate6OB452MC0ETCN-PMUNII-6OB452MC0E1032073-93-0VD-00021,4,5,6,8-Pentaazaacenaphthylen-3-amine, 1,5-dihydro-5-methyl-1-(5-O-phosphono-beta-D-ribofuranosyl)-, hydrate (1:1)1,4,5,6,8-PENTAAZAACENAPHTHYLEN-3-AMINE, 1,5-DIHYDRO-5-METHYL-1-(5-O-PHOSPHONO-.BETA.-D-RIBOFURANOSYL)-, HYDRATE (1:1)RefChem:203343SCHEMBL1060793Q27265229
Data from PubChem (NCBI)
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