3'-Phosphoadenosine 5'-Phosphate
[CAS# 75431-54-8]

Identification

• Name: 3'-Phosphoadenosine 5'-Phosphate
• Synonyms: [(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-4-Hydroxy-2-(Phosphonooxymethyl)Tetrahydrofuran-3-Yl] Dihydrogen Phosphate; [(2R,3S,4R,5R)-5-(6-Amino-9-Purinyl)-4-Hydroxy-2-(Phosphonooxymethyl)-3-Tetrahydrofuranyl] Dihydrogen Phosphate; Adenosine-3'-5'-Diphosphate
• Molecular Formula: C₁₀H₁₅N₅O₁₀P₂
• Molecular Weight: 427.20
• CAS Registry Number: 75431-54-8
• SMILES: [C@H]3([N]2C1=C(C(=NC=N1)N)N=C2)[C@@H]([C@H](O[P](=O)(O)O)[C@H](O3)CO[P](=O)(O)O)O
• InChI: 1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7(25-27(20,21)22)4(24-10)1-23-26(17,18)19/h2-4,6-7,10,16H,1H2,(H2,11,12,13)(H2,17,18,19)(H2,20,21,22)/t4-,6-,7-,10-/m1/s1
• InChIKey: WHTCPDAXWFLDIH-KQYNXXCUSA-N

Properties

• Density: 2.498g/cm³ (Cal.)
• Boiling point: 924.27°C at 760 mmHg (Cal.)
• Flash point: 512.78°C (Cal.)

References

• (1): David L. Akey, Jennifer J. Gehret, Dheeraj Khare and Janet L. Smith. Insights from the sea: Structural biology of marine polyketide synthases, Nat. Prod. Rep., 2012, 29, 1038.