Adenylyl(3'-5')cytidine-3'-phosphate
[CAS# 2348-33-6]

Identification

• Name: Adenylyl(3'-5')cytidine-3'-phosphate
• Synonyms: [(2R,3S,4R,5R)-5-(4-Amino-2-Oxo-Pyrimidin-1-Yl)-4-Hydroxy-3-Phosphonooxy-Tetrahydrofuran-2-Yl]Methyl [(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-4-Hydroxy-2-(Hydroxymethyl)Tetrahydrofuran-3-Yl] Hydrogen Phosphate; [(2R,3S,4R,5R)-5-(4-Amino-2-Oxo-1-Pyrimidinyl)-4-Hydroxy-3-Phosphonooxy-2-Tetrahydrofuranyl]Methyl [(2R,3S,4R,5R)-5-(6-Amino-9-Purinyl)-4-Hydroxy-2-(Hydroxymethyl)-3-Tetrahydrofuranyl] Hydrogen Phosphate; [(2R,3S,4R,5R)-5-(4-Amino-2-Keto-Pyrimidin-1-Yl)-4-Hydroxy-3-Phosphonooxy-Tetrahydrofuran-2-Yl]Methyl [(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-4-Hydroxy-2-Methylol-Tetrahydrofuran-3-Yl] Hydrogen Phosphate
• Molecular Formula: C₁₉H₂₆N₈O₁₄P₂
• Molecular Weight: 652.41
• CAS Registry Number: 2348-33-6 (24458-29-5)
• SMILES: [C@H]5([N]2C1=C(C(=NC=N1)N)N=C2)[C@@H]([C@H](O[P](OC[C@@H]4[C@H]([C@@H](O)[C@H](N3C(N=C(C=C3)N)=O)O4)O[P](=O)(O)O)(=O)O)[C@H](O5)CO)O
• InChI: 1S/C19H26N8O14P2/c20-9-1-2-26(19(31)25-9)17-12(30)14(40-42(32,33)34)8(39-17)4-37-43(35,36)41-13-7(3-28)38-18(11(13)29)27-6-24-10-15(21)22-5-23-16(10)27/h1-2,5-8,11-14,17-18,28-30H,3-4H2,(H,35,36)(H2,20,25,31)(H2,21,22,23)(H2,32,33,34)/t7-,8-,11-,12-,13-,14-,17-,18-/m1/s1
• InChIKey: YRNQEPCYFNBXEA-KPKSGTNCSA-N

Properties

• Density: 2.348g/cm³ (Cal.)
• Boiling point: 1089.976°C at 760 mmHg (Cal.)
• Flash point: 612.995°C (Cal.)