P(1)-(Adenosine-5')-P(3)-(Glucose-6)Triphosphate
[CAS# 62230-91-5]

Identification

• Name: P(1)-(Adenosine-5')-P(3)-(Glucose-6)Triphosphate
• Synonyms: [(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl [(1R,2S,3R,4R)-1-Formyl-2,3,4,5-Tetrahydroxy-Pentyl] (Hydroxy-Phosphonooxy-Phosphoryl) Phosphate; Phosphoric Acid [(2R,3S,4R,5R)-5-(6-Amino-9-Purinyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methyl [(1R,2S,3R,4R)-1-Formyl-2,3,4,5-Tetrahydroxypentyl] (Hydroxy-Phosphonooxyphosphoryl) Ester; Phosphoric Acid [(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl [(1R,2S,3R,4R)-1-Formyl-2,3,4,5-Tetrahydroxy-Pentyl] (Hydroxy-Phosphonooxy-Phosphoryl) Ester
• Molecular Formula: C₁₆H₂₆N₅O₁₈P₃
• Molecular Weight: 669.33
• CAS Registry Number: 62230-91-5
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H]1O)CO[P](O[P](O[P](=O)(O)O)(=O)O)(O[C@H]([C@@H](O)[C@H](O)[C@H](O)CO)C=O)=O)[N]2C3=C(N=C2)C(=NC=N3)N
• InChI: 1S/C16H26N5O18P3/c17-14-9-15(19-4-18-14)21(5-20-9)16-13(28)12(27)8(36-16)3-35-42(34,39-41(32,33)38-40(29,30)31)37-7(2-23)11(26)10(25)6(24)1-22/h2,4-8,10-13,16,22,24-28H,1,3H2,(H,32,33)(H2,17,18,19)(H2,29,30,31)/t6-,7+,8-,10-,11-,12-,13-,16-,42?/m1/s1
• InChIKey: YGBHXQQFTAZIBV-KOOUZBQZSA-N

Properties

• Density: 2.357g/cm³ (Cal.)
• Boiling point: 1111.845°C at 760 mmHg (Cal.)
• Flash point: 626.221°C (Cal.)